input word = C00012593

Metabolite InformationStructural formula
Name [7'R(R)]-2'-Deoxy-7'-deoxo-4',16-dihydroxy-7'-(1-hydroxyethyl)verrucarin A
Formula C29H40O10
Mw 548.2621475
CAS RN 105563-57-3
C_ID C00012593 ,
InChIKey SJKSUHKMGJFSRR-YDFGWWAZNA-N
InChICode InChI=1S/C29H40O10/c1-17-10-26(34)36-15-28-9-8-19(13-30)11-23(28)38-24-12-22(27(28,3)29(24)16-37-29)39-25(33)7-5-4-6-21(18(2)31)35-14-20(17)32/h4-7,11,17-18,20-24,30-32H,8-10,12-16H2,1-3H3/b6-4+,7-5+/t17-,18+,20+,21+,22-,23-,24-,27-,28+,29-/m0/s1
SMILES C\1=C/C=C/C(=O)O[C@@H]2[C@]3([C@]4(COC(=O)C[C@@H]([C@@H](CO[C@H]1[C@H](O)C)O)C)[C@@H](O[C@H]([C@]13CO1)C2)C=C(CC4)CO)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeBaccharis megapotamica Ref.
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