input word =
C00054257
Metabolite Information
Structural formula
Name
3beta-O-trans-p-Coumaroylmaslinic acid
3-O-trans-Coumaroylmaslinic acid
Formula
C39H54O6
Mw
618.39203946
CAS RN
35482-91-8
C_ID
C00054257
InChIKey
KWLOAKAXMOYBRK-DBNVPYPFSA-N
InChICode
InChI=1S/C39H54O6/c1-34(2)18-20-39(33(43)44)21-19-37(6)26(27(39)22-34)13-14-30-36(5)23-28(41)32(35(3,4)29(36)16-17-38(30,37)7)45-31(42)15-10-24-8-11-25(40)12-9-24/h8-13,15,27-30,32,40-41H,14,16-23H2,1-7H3,(H,43,44)/b15-10+/t27-,28+,29-,30+,32-,36-,37+,38+,39-/m0/s1
SMILES
CC1(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](OC(=O)/C=C/c6ccc(O)cc6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom
Family
Species
Reference
Plantae
Myrtaceae
Psidium guajava
Ref.
Plantae
Rhamnaceae
Zizyphus jujuba
Ref.
zoom in
