input word = C00044473

Metabolite InformationStructural formula
Name 6beta-Hydroxy-3-oxo-lup-20(29)-en-28-oic acid
Formula C30H46O4
Mw 470.33960996
CAS RN 106327-34-8
C_ID C00044473 ,
InChIKey FIADIPXEFYWJQV-NJNLZDIONA-N
InChICode InChI=1S/C30H46O4/c1-17(2)18-10-13-30(25(33)34)15-14-28(6)19(23(18)30)8-9-21-27(5)12-11-22(32)26(3,4)24(27)20(31)16-29(21,28)7/h18-21,23-24,31H,1,8-16H2,2-7H3,(H,33,34)/t18-,19+,20+,21+,23-,24-,27+,28+,29+,30-/m0/s1
SMILES C=C(C)C1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5[C@H](O)C[C@]43C)[C@@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Liquidamber styraciflua Ref.
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