input word = C00057829

Metabolite InformationStructural formula
Name Withaperuvin H
Formula C30H42O9S
Mw 578.25495367
CAS RN 123298-94-2
C_ID C00057829
InChIKey RALUHIBMVXYCHB-UHFFFAOYSA-N
InChICode InChI=1S/C30H42O9S/c1-15-12-21(39-24(33)16(15)2)27(5,34)29(36)11-10-28(35)18-13-22-30(37)20(38-23(32)14-40-22)7-6-19(31)26(30,4)17(18)8-9-25(28,29)3/h6-7,17-18,20-23,32,34-37H,8-14H2,1-5H3
SMILES CC1=C(C)C(=O)OC(C(C)(O)C2(O)CCC3(O)C4CC5SCC(O)OC6C=CC(=O)C(C)(C4CCC32C)C65O)C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaePhysalis peruviana Ref.
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