input word = C00061425

Metabolite InformationStructural formula
Name Angeloylgrandifloric acid
Formula C25H36O4
Mw 400.26135964
CAS RN 32381-03-6
C_ID C00061425
InChIKey BJWJSOYJPSJWKC-KGEZFPFJSA-N
InChICode InChI=1S/C25H36O4/c1-6-15(2)21(26)29-20-16(3)17-8-9-19-23(4)11-7-12-24(5,22(27)28)18(23)10-13-25(19,20)14-17/h6,17-20H,3,7-14H2,1-2,4-5H3,(H,27,28)/b15-6-/t17-,18-,19-,20-,23+,24+,25?/m0/s1
SMILES C=C1C2CCC3C4(C)CCCC(C)(C(=O)O)C4CCC3(C2)C1OC(=O)C(C)=CC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeHelianthus annuus Ref.
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