input word = C00029491

Metabolite InformationStructural formula
Name 2alpha,3alpha-Dihydroxyurs-12-en-28-oic acid
3-Epicorosolic acid
Pygenic acid A
Formula C30H48O4
Mw 472.35526002
CAS RN 52213-27-1
C_ID C00029491 ,
InChIKey HFGSQOYIOKBQOW-NETSDLRXNA-N
InChICode InChI=1S/C30H48O4/c1-17-10-13-30(25(33)34)15-14-28(6)19(23(30)18(17)2)8-9-22-27(5)16-20(31)24(32)26(3,4)21(27)11-12-29(22,28)7/h8,17-18,20-24,31-32H,9-16H2,1-7H3,(H,33,34)/t17-,18+,20-,21+,22-,23+,24-,27+,28-,29-,30+/m1/s1
SMILES C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[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
PlantaeAraliaceaeCentella asiatica Ref.
PlantaeLabiataePerilla frutescens (L.) Britton var.japonica Hara Ref.
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