input word = C00051417

Metabolite InformationStructural formula
Name Madasiatic acid
Formula C30H48O5
Mw 488.35017464
CAS RN 26532-66-1
C_ID C00051417
InChIKey FXOGZPXLCKAKIH-YDDLLPQQNA-N
InChICode InChI=1S/C30H48O5/c1-16-10-11-30(25(34)35)13-12-28(6)18(22(30)17(16)2)8-9-21-27(5)14-20(32)24(33)26(3,4)23(27)19(31)15-29(21,28)7/h8,16-17,19-24,31-33H,9-15H2,1-7H3,(H,34,35)/t16-,17+,19-,20-,21-,22+,23+,24+,27-,28-,29-,30+/m1/s1
SMILES C[C@H]1[C@H](C)CC[C@]2(OC=O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5[C@H](O)C[C@]43C)[C@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAraliaceaeCentella asiatica Ref.
zoom in



OrganismCentella asiatica
ReferenceEdited by Jiangsu New Medicinal College, Chinese Medicine Dictionary, Shanghai Science and technology Press, Shanghai, (1979)