[(2~{R})-3-[[(1~{R})-1-[[(2~{S},5~{S},6~{Z},8~{S},11~{R},12~{S},13~{E},15~{S},16~{Z},18~{S},21~{R})-5-benzyl-6,13,16,21-tetrahydroxy-15-[2-(4-hydroxyphenyl)ethyl]-4,11-dimethyl-2,8-bis[(1~{S})-1-methylpropyl]-3,9,22-trioxo-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosa-6,13,16-trien-12-yl]carbamoyl]-3-(4-hydroxyphenyl)propyl]amino]-2-methoxy-3-oxo-propyl] hydrogen sulfate (BioCAD00001556443)

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Metabolite Card

Formula: C55H75N7O17S (1137.494)
SMILES: CC[C@H](C)[C@@H]1/N=C(\O)[C@H](CC2=CC=CC=C2)N(C)C(=O)[C@H]([C@@H](C)CC)N2C(=O)[C@H](CC[C@H]2O)/N=C(\O)[C@H](CCC2=CC=C(O)C=C2)/N=C(/O)[C@@H](NC(=O)[C@@H](CCC2=CC=C(O)C=C2)NC(=O)[C@@H](COS(=O)(=O)O)OC)[C@@H](C)OC1=O

Synonyms [en]

[(2~{R})-3-[[(1~{R})-1-[[(2~{S},5~{S},6~{Z},8~{S},11~{R},12~{S},13~{E},15~{S},16~{Z},18~{S},21~{R})-5-benzyl-6,13,16,21-tetrahydroxy-15-[2-(4-hydroxyphenyl)ethyl]-4,11-dimethyl-2,8-bis[(1~{S})-1-methylpropyl]-3,9,22-trioxo-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosa-6,13,16-trien-12-yl]carbamoyl]-3-(4-hydroxyphenyl)propyl]amino]-2-methoxy-3-oxo-propyl] hydrogen sulfate

Reviewed

Last reviewed on 2024-06-28.

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[(2~{R})-3-[[(1~{R})-1-[[(2~{S},5~{S},6~{Z},8~{S},11~{R},12~{S},13~{E},15~{S},16~{Z},18~{S},21~{R})-5-benzyl-6,13,16,21-tetrahydroxy-15-[2-(4-hydroxyphenyl)ethyl]-4,11-dimethyl-2,8-bis[(1~{S})-1-methylpropyl]-3,9,22-trioxo-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosa-6,13,16-trien-12-yl]carbamoyl]-3-(4-hydroxyphenyl)propyl]amino]-2-methoxy-3-oxo-propyl] hydrogen sulfate. 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: BioCAD00001556443). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

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  • Coconut NaturalProduct: CNP0483999.1

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Metabolic Network
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