input word = C00057627

Metabolite InformationStructural formula
Name Oryzaterpenyl hydrocaffeate
Formula C38H68O8
Mw 652.49141915
CAS RN 883221-84-9
C_ID C00057627
InChIKey INTOSLLQTKHVJP-GLZYASMNSA-N
InChICode InChI=1S/C38H68O8/c1-7-8-9-15-30(5)36(43)33(40)25-29(4)14-11-23-38(6,45)37(44)34(41)26-28(3)13-10-12-27(2)22-24-46-35(42)21-18-31-16-19-32(39)20-17-31/h16-17,19-20,27-30,33-34,36-37,39-41,43-45H,7-15,18,21-26H2,1-6H3/t27-,28+,29+,30-,33-,34-,36-,37+,38+/m0/s1
SMILES CCCCC[C@H](C)[C@H](O)[C@@H](O)C[C@H](C)CCC[C@@](C)(O)[C@H](O)[C@@H](O)C[C@H](C)CCC[C@H](C)CCOC(=O)CCc1ccc(O)cc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePoaceaeOryza sativa Ref.
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OrganismOryza sativa
ReferenceChung, I.M. et al., Chem. Nat. Compd. (Engl. Transl.), 2005, 41, 650-653 (Oryzaterpenyl hydrocaffeate)