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 C1CC([C@H]2[C@](C1)([C@H](C(=C[C@H]2OC(=O)CCc1ccccc1)C(=O)OC)CCc1cocc1)C)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeGutierrezia espinosae Ref.
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OrganismGutierrezia espinosae
ReferenceZdero,Phytochem.,29,(1990),567