input word = C00047660

Metabolite InformationStructural formula
Name 3beta-Hydroxyurs-12-en-27-oic acid
alpha-Peltoboykinolic acid
(+)-alpha-Peltoboykinolic acid
Formula C30H48O3
Mw 456.3603454
CAS RN 24778-49-2
C_ID C00047660 ,
InChIKey RXVRYAUOTRSYDU-IWWUZGCUNA-N
InChICode InChI=1S/C30H48O3/c1-18-10-13-27(5)16-17-30(25(32)33)20(24(27)19(18)2)8-9-22-28(6)14-12-23(31)26(3,4)21(28)11-15-29(22,30)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27-,28+,29-,30-/m1/s1
SMILES C[C@H]1[C@H](C)CC[C@]2(C)CC[C@]3(C(=O)O)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSaxifragaceaeAstilbe chinensis Ref.
PlantaeSaxifragaceaePeltoboykinia watanabii Ref.
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