input word = C00051621

Metabolite InformationStructural formula
Name Mollugogenol B
Formula C30H48O2
Mw 440.36543078
CAS RN 22554-64-9
C_ID C00051621
InChIKey VUBKTAWHNLXBDM-CTEBSYHBNA-N
InChICode InChI=1S/C30H48O2/c1-18(2)19-11-14-27(5)20(19)12-16-29(7)22(27)9-10-23-28(6)15-13-24(32)26(3,4)25(28)21(31)17-30(23,29)8/h12,16,18,21-25,31-32H,9-11,13-15,17H2,1-8H3/t21-,22+,23+,24-,25-,27-,28+,29+,30+/m0/s1
SMILES CC(C)C1=C2C=C[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5[C@@H](O)C[C@]43C)[C@@]2(C)CC1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMolluginaceaeMollugo pentaphylla Ref.
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