input word = C00045186

Metabolite InformationStructural formula
Name 6alpha-Hydroxylup-20(29)-en-3-oxo-27,28-dioic acid
(+)-6alpha-Hydroxylup-20(29)-en-3-oxo-27,28-dioic acid
Formula C30H44O6
Mw 500.31378914
CAS RN 443686-96-2
C_ID C00045186 ,
InChIKey BLMDUACVPBWIGN-MAVCYOSLNA-N
InChICode InChI=1S/C30H44O6/c1-16(2)17-9-12-29(24(33)34)13-14-30(25(35)36)18(22(17)29)7-8-20-27(5)11-10-21(32)26(3,4)23(27)19(31)15-28(20,30)6/h17-20,22-23,31H,1,7-15H2,2-6H3,(H,33,34)(H,35,36)/t17-,18+,19-,20+,22-,23-,27+,28+,29-,30+/m0/s1
SMILES C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C(=O)O)[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
PlantaeAdoxaceaeViburnum odoratissimum Ref.
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