input word = C00056612

Metabolite InformationStructural formula
Name 2,3-Dihydroxy-12-ursen-28,30-olide
Formula C30H46O4
Mw 470.33960996
CAS RN 1198363-27-7
C_ID C00056612
InChIKey VKOVOADDLNJGAG-CGGNMCIZSA-N
InChICode InChI=1S/C30H46O4/c1-17-18-9-12-30(25(33)34-16-18)14-13-28(5)19(23(17)30)7-8-22-27(4)15-20(31)24(32)26(2,3)21(27)10-11-29(22,28)6/h7,17-18,20-24,31-32H,8-16H2,1-6H3/t17-,18+,20+,21-,22+,23-,24-,27-,28+,29+,30-/m0/s1
SMILES C[C@H]1[C@@H]2CC[C@@]3(CC[C@]4(C)C(=CC[C@@H]5[C@@]6(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]6CC[C@]54C)[C@H]13)C(=O)OC2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeActinidiaceaeActinidia chinensis Ref.
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