input word = C00056734

Metabolite InformationStructural formula
Name 3-Hydroxycycloart-24-en-21-oic acid
Formula C30H48O3
Mw 456.3603454
CAS RN 125302-31-0
C_ID C00056734
InChIKey ATCKKDRMJPISRM-PJSNPGDSSA-N
InChICode InChI=1S/C30H48O3/c1-19(2)8-7-9-20(25(32)33)21-12-14-28(6)23-11-10-22-26(3,4)24(31)13-15-29(22)18-30(23,29)17-16-27(21,28)5/h8,20-24,31H,7,9-18H2,1-6H3,(H,32,33)/t20-,21-,22+,23+,24+,27-,28+,29-,30+/m1/s1
SMILES CC(C)=CCC[C@@H](C(=O)O)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@@]45C[C@@]35CC[C@]12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeLansium domesticum Ref.
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OrganismLansium domesticum
ReferenceNishizawa, M. et al., Tet. Lett., 1989, 30, 5615 (cryst struct)