input word = C00051540

Metabolite InformationStructural formula
Name Mesembryanthemoidigenic acid
Formula C30H48O4
Mw 472.35526002
CAS RN 4871-87-8
C_ID C00051540
InChIKey JCIKGMHGUNTDAE-VKUCPVJWNA-N
InChICode InChI=1S/C30H48O4/c1-25(2)21-9-12-29(6)22(27(21,4)11-10-23(25)32)8-7-19-20-17-26(3,18-31)13-15-30(20,24(33)34)16-14-28(19,29)5/h7,20-23,31-32H,8-18H2,1-6H3,(H,33,34)/t20-,21-,22+,23-,26+,27-,28+,29+,30-/m0/s1
SMILES CC1(C)[C@@H](O)CC[C@]2(C)[C@H]3CC=C4[C@@H]5C[C@](C)(CO)CC[C@]5(OC=O)CC[C@@]4(C)[C@]3(C)CC[C@@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLardizabalaceaeAkebia quinata Ref.
PlantaeLardizabalaceaeStauntonia hexaphylla Ref.
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OrganismAkebia quinata
ReferenceIkuta, et al., Phytochemistry, 25, (1986), 1625.

Ikuta, et al., Journal of Natural Products, 52, (1989), 623