input word = C00012399

Metabolite InformationStructural formula
Name Zinangustolide
Formula C20H30O6
Mw 366.20423869
CAS RN 80368-04-3
C_ID C00012399 ,
InChIKey GVSRLFWWDZXDPH-GHXNOFRVNA-N
InChICode InChI=1S/C20H30O6/c1-5-11(2)19(23)25-15-9-14(10-21)8-6-7-12(3)17(22)18-16(15)13(4)20(24)26-18/h7,11,14-18,21-22H,4-6,8-10H2,1-3H3/b12-7+/t11-,14+,15+,16-,17+,18-/m0/s1
SMILES C=C1C(=O)OC2C(O)/C(C)=C/CCC(CO)CC(OC(=O)C(C)CC)C12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeZinnia angustifolia Ref.
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OrganismZinnia angustifolia
ReferenceBohlmann,Phytochem.,20,(1981),1623