(2S,3R,4S,5R)-2-[(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-2-[[(3S,5R,8R,9R,10R,12R,13R,14R,17S)-12-hydroxy-17-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol (BioCAD00001565549)

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Metabolite Card

Formula: C47H80O17 (916.5395)
SMILES: CC(C)=CCC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)C(C)(C)[C@@H]3CC[C@]12C

Synonyms [en]

CHEMBL3594359; (2S,3R,4S,5R)-2-[(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-2-[[(3S,5R,8R,9R,10R,12R,13R,14R,17S)-12-hydroxy-17-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol; (2~{S},3~{R},4~{S},5~{R})-2-[(2~{S},3~{R},4~{S},5~{S},6~{R})-2-[(2~{R},3~{R},4~{S},5~{S},6~{R})-4,5-dihydroxy-2-[[(3~{S},5~{R},8~{R},9~{R},10~{R},12~{R},13~{R},14~{R},17~{S})-12-hydroxy-17-[(1~{S})-1-hydroxy-1,5-dimethyl-hex-4-enyl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1~{H}-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)tetrahydropyran-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl]oxytetrahydropyran-3,4,5-triol

Reviewed

Last reviewed on 2024-06-28.

Cite this Page

(2S,3R,4S,5R)-2-[(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-2-[[(3S,5R,8R,9R,10R,12R,13R,14R,17S)-12-hydroxy-17-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol. 数据之源，洞见之始. SMRUCC genomics institute, a synthetic life researcher from China. https://biocad_registry.innovation.ac.cn/s/(-)-arctiin (retrieved 2026-01-03) (CAD Registry RN: BioCAD00001565549). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

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Entity Information

DBLinks

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Other DBLinks
  • Coconut NaturalProduct: CNP0332024.2

Class / Ontology

Metabolic Network
ID EC Number Name
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Organism Source

Taxonomy Source

  1. Achillea clypeolata [ncbi taxid: 282728]
  2. Agaricus hortensis [ncbi taxid: ]
  3. Athanasia crithmifolia [ncbi taxid: 127980]
  4. Benzoin praecox [ncbi taxid: ]
  5. Berberis julianae [ncbi taxid: 258178]
  6. Bridelia ferruginea [ncbi taxid: 319147]
  7. Bystropogon origanifolius [ncbi taxid: 260591]
  8. Cardamine pinnata [ncbi taxid: ]
  9. Centella asiatica [ncbi taxid: 48106]
  10. Cerbera dilatata [ncbi taxid: ]
  11. Cneorum pulverulentum [ncbi taxid: 43706]
  12. Codonocarpus australis [ncbi taxid: ]
  13. Crateva nurvala [ncbi taxid: 1149812]
  14. Diospyros verrucosa [ncbi taxid: 1237540]
  15. Euonymus nanoides [ncbi taxid: 1442725]
  16. Jacobaea subalpina [ncbi taxid: 189250]
  17. Lactobacillus casei [ncbi taxid: ]
  18. Mortierella elongata [ncbi taxid: ]
  19. Mycobacterium tuberculosis [ncbi taxid: 1773]
  20. Perovskia abrotanoides [ncbi taxid: ]
  21. Pleogyne cunninghami [ncbi taxid: ]
  22. Pleogyne cunninghamii [ncbi taxid: ]
  23. Polygala amara [ncbi taxid: 58884]
  24. Pseudallescheria boydii [ncbi taxid: ]
  25. Pyrola decorata [ncbi taxid: 642527]
  26. Quercus serrata [ncbi taxid: 103482]
  27. Rhinella arenarum [ncbi taxid: 38577]
  28. Rubus rosa [ncbi taxid: 2520637]
  29. Schizonepeta multifida [ncbi taxid: 392704]
  30. Septoria pistaciarum [ncbi taxid: 1387573]
  31. Stephania sutchuenensis [ncbi taxid: ]
  32. Streptomyces fumanus [ncbi taxid: 67302]
  33. Streptomyces lavendofoliae [ncbi taxid: 67314]
  34. Streptomyces odorifer [ncbi taxid: 53450]
  35. Swertia japonica [ncbi taxid: 137129]
  36. Tetraneuris acaulis [ncbi taxid: 128730]
  37. Turbo argyrostoma [ncbi taxid: ]
  38. Unonopsis glaucopetala [ncbi taxid: 2986212]
  39. Zieria smithii [ncbi taxid: 483743]

Pathway Synthetic

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