input word = C00059818

Metabolite InformationStructural formula
Name GA7 isolactone
Formula C19H22O5
Mw 330.14672381
CAS RN 139013-69-7
C_ID C00059818
InChIKey NIYWWSSZSAHRIW-OZWPEKBJSA-N
InChICode InChI=1S/C19H22O5/c1-8-6-19-7-9(8)3-4-11(19)10-5-12-15(20)18(2,17(23)24-12)13(10)14(19)16(21)22/h5,9,11-15,20H,1,3-4,6-7H2,2H3,(H,21,22)/t9-,11+,12?,13-,14-,15+,18+,19+/m1/s1
SMILES C=C1CC23CC1CCC2C1=CC2OC(=O)C(C)(C2O)C1C3C(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeChenopodiaceaeSpinacia oleracea Ref.
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