input word = C00058782

Metabolite InformationStructural formula
Name Urs-12-en-28-oic acid
Formula C30H48O2
Mw 440.36543078
CAS RN 6756-5-4
C_ID C00058782
InChIKey WPUBBRMDKXXVBG-LPJCUVJWSA-N
InChICode InChI=1S/C30H48O2/c1-19-11-16-30(25(31)32)18-17-28(6)21(24(30)20(19)2)9-10-23-27(5)14-8-13-26(3,4)22(27)12-15-29(23,28)7/h9,19-20,22-24H,8,10-18H2,1-7H3,(H,31,32)/t19-,20+,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)CCCC(C)(C)[C@@H]5CC[C@]43C)[C@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLythraceaeLagerstroemia indica Ref.
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