input word = C00060112

Metabolite InformationStructural formula
Name 3beta-cis-p-Coumaroyloxy-2alpha-hydroxyurs-12-en-28-oic acid
Formula C39H54O6
Mw 618.39203946
CAS RN 155800-17-2
C_ID C00060112
InChIKey FEVUQLLYZLSRLB-XURUTGAWSA-N
InChICode InChI=1S/C39H54O6/c1-23-16-19-39(34(43)44)21-20-37(6)27(32(39)24(23)2)13-14-30-36(5)22-28(41)33(35(3,4)29(36)17-18-38(30,37)7)45-31(42)15-10-25-8-11-26(40)12-9-25/h8-13,15,23-24,28-30,32-33,40-41H,14,16-22H2,1-7H3,(H,43,44)/b15-10-/t23-,24+,28-,29?,30?,32+,33+,36+,37-,38-,39+/m1/s1
SMILES CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(OC(=O)C=Cc6ccc(O)cc6)C(C)(C)C5CCC43C)C2C1C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMyrtaceaePsidium guajava Ref.
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