input word = C00022650

Metabolite InformationStructural formula
Name Gutierrezianolic acid 3-phenylpropionate methyl ester
Formula C30H38O5
Mw 478.27192432
CAS RN 126771-09-3
C_ID C00022650 ,
InChIKey PRZOSNLUCGBIOL-QUDGDMINNA-N
InChICode InChI=1S/C30H38O5/c1-29(2)16-8-17-30(3)24(13-11-22-15-18-34-20-22)23(28(32)33-4)19-25(27(29)30)35-26(31)14-12-21-9-6-5-7-10-21/h5-7,9-10,15,18-20,24-25,27H,8,11-14,16-17H2,1-4H3/t24-,25+,27-,30+/m0/s1
SMILES COC(=O)C1=C[C@H](OC(=O)CCc2ccccc2)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CCc1ccoc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeGutierrezia espinosae Ref.
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