input word = C00060859

Metabolite InformationStructural formula
Name Grandifloric acid
Formula C20H30O3
Mw 318.21949482
CAS RN 22338-69-8
C_ID C00060859
InChIKey GVGJRXSJJHLPGZ-UHFFFAOYSA-N
InChICode InChI=1S/C20H30O3/c1-12-13-5-6-15-18(2)8-4-9-19(3,17(22)23)14(18)7-10-20(15,11-13)16(12)21/h13-16,21H,1,4-11H2,2-3H3,(H,22,23)/t13-,14-,15-,16-,18+,19+,20+/m0/s1;InChI=1S/C20H30O3/c1-12-13-5-6-15-18(2)8-4-9-19(3,17(22)23)14(18)7-10-20(15,11-13)16(12)21/h13-16,21H,1,4-11H2,2-3H3,(H,22,23);InChI=1S/C20H30O3/c1-12-13-5-6-15-18(2)8-4-9-19(3,17(22)23)14(18)7-10-20(15,11-13)16(12)21/h13-16,21H,1,4-11H2,2-3H3,(H,22,23)/t13-,14+,15+,16+,18-,19-,20-/m1/s1
SMILES C=C1C2CCC3C4(C)CCCC(C)(C(=O)O)C4CCC3(C2)C1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeHelianthus annuus Ref.
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