input word = C00031553

Metabolite InformationStructural formula
Name 3-(Z)-Coumaroyllupeol
(+)-3-(Z)-Coumaroyllupeol
Formula C39H56O3
Mw 572.42294565
CAS RN 873199-21-4
C_ID C00031553 ,
InChIKey LUJLGKGMUFEQQU-FPRFYYBDNA-N
InChICode InChI=1S/C39H56O3/c1-25(2)28-17-20-36(5)23-24-38(7)29(34(28)36)14-15-31-37(6)21-19-32(35(3,4)30(37)18-22-39(31,38)8)42-33(41)16-11-26-9-12-27(40)13-10-26/h9-13,16,28-32,34,40H,1,14-15,17-24H2,2-8H3/b16-11-/t28-,29+,30-,31+,32+,34-,36+,37+,38+,39+/m0/s1
SMILES C1[C@H](C([C@H]2[C@@](C1)([C@@H]1[C@@](CC2)([C@]2([C@H](CC1)[C@H]1[C@@](CC2)(CC[C@H]1C(=C)C)C)C)C)C)(C)C)OC(=O)/C=C\c1ccc(cc1)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRhizophoraceaeBruguiera parviflora Ref.
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OrganismBruguiera parviflora
ReferenceChumkaew,Chem.Pharm.Bull.,53,(2005),95