input word = C00012583

Metabolite InformationStructural formula
Name [2'R,7'R(R),8R]-7'-Deoxo-8-hydroxy-7'-(1-hydroxyethyl)verrucarin A
Baccharinoid B 7
Baccharisol
Formula C29H40O10
Mw 548.2621475
CAS RN 71718-23-5
C_ID C00012583 ,
InChIKey GVZIONLFUHXCGG-KQQUZDAGNA-N
InChICode InChI=1S/C29H40O10/c1-16-9-10-35-20(18(3)30)7-5-6-8-24(32)39-21-12-23-29(15-37-29)27(21,4)28(14-36-26(34)25(16)33)13-19(31)17(2)11-22(28)38-23/h5-8,11,16,18-23,25,30-31,33H,9-10,12-15H2,1-4H3/b7-5+,8-6+/t16-,18+,19+,20-,21+,22-,23-,25+,27-,28-,29-/m1/s1
SMILES C\1=C/C=C/C(=O)O[C@@H]2[C@@]3([C@]4(COC(=O)[C@H]([C@@H](CCO[C@H]1[C@@H](O)C)C)O)[C@H](O[C@@H]([C@@]13CO1)C2)C=C([C@H](C4)O)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeBaccharis megapotamica Ref.
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