input word = C00059453

Metabolite InformationStructural formula
Name (3beta,18alpha)-3-Hydroxy-oleana-5,12-dien-28-oic acid
Formula C30H46O3
Mw 454.34469533
CAS RN 1228384-85-7
C_ID C00059453
InChIKey SIOMFBXUIJKTMF-YMVCGTIMSA-N
InChICode InChI=1S/C30H46O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8,10,20,22-23,31H,9,11-18H2,1-7H3,(H,32,33)/t20-,22-,23+,27+,28-,29-,30+/m1/s1
SMILES CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5=CCC43C)C2C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLythraceaePunica granatum Ref.
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