input word = C00035342

Metabolite InformationStructural formula
Name Mollic acid
(+)-Mollic acid
Formula C30H48O4
Mw 472.35526002
CAS RN 99646-14-7
C_ID C00035342 ,
InChIKey PASCVNXEVINGGG-DSYBGYOPNA-N
InChICode InChI=1S/C30H48O4/c1-18(2)8-7-9-19(3)20-12-13-27(5)21-10-11-22-28(6,25(33)34)23(31)16-24(32)30(22)17-29(21,30)15-14-26(20,27)4/h8,19-24,31-32H,7,9-17H2,1-6H3,(H,33,34)/t19-,20-,21+,22+,23+,24+,26-,27+,28+,29+,30-/m1/s1
SMILES C1[C@@H]([C@@]([C@H]2[C@]3([C@H]1O)[C@]1([C@@H](CC2)[C@]2([C@](CC1)([C@H](CC2)[C@H](C)CCC=C(C)C)C)C)C3)(C)C(=O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCombretaceaeCombretum molle Ref.
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OrganismCombretum molle
ReferenceEloff,J.Ethnopharmacol.,119,(2008),686