input word = C00057816

Metabolite InformationStructural formula
Name 2,3,24-Trihydroxy-12-ursen-28,30-olide
Formula C30H46O5
Mw 486.33452458
CAS RN 1198363-28-8
C_ID C00057816
InChIKey ICYLFQBETKCDHZ-HZMLAQHZSA-N
InChICode InChI=1S/C30H46O5/c1-17-18-8-11-30(25(34)35-15-18)13-12-28(4)19(23(17)30)6-7-22-26(2)14-20(32)24(33)27(3,16-31)21(26)9-10-29(22,28)5/h6,17-18,20-24,31-33H,7-16H2,1-5H3/t17-,18+,20+,21+,22+,23?,24-,26-,27+,28+,29+,30-/m0/s1
SMILES C[C@@H]1C2C3=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@](C)(CO)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]23CC[C@@H]1COC3=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeActinidiaceaeActinidia chinensis Ref.
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