input word = C00033489

Metabolite InformationStructural formula
Name Withacoagin
(+)-Withacoagin
Formula C28H38O5
Mw 454.27192432
CAS RN 119539-81-0
C_ID C00033489 ,
InChIKey UYRXFMXVVKNLDH-JDJHGKDTNA-N
InChICode InChI=1S/C28H38O5/c1-16-15-23(33-24(30)17(16)2)27(5,31)21-9-8-19-18-10-14-28(32)12-6-7-22(29)26(28,4)20(18)11-13-25(19,21)3/h6-7,10,14,18-21,23,31-32H,8-9,11-13,15H2,1-5H3/t18-,19-,20-,21-,23+,25-,26-,27+,28-/m0/s1
SMILES C1=CC[C@]2([C@](C1=O)([C@@H]1[C@@H](C=C2)[C@H]2[C@](CC1)([C@H](CC2)[C@](C)([C@@H]1OC(=O)C(=C(C1)C)C)O)C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeWithania somnifera Ref.
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