input word = C00003483

Metabolite InformationStructural formula
Name Sorgolactone
Formula C18H20O5
Mw 316.13107375
CAS RN 141262-39-7
C_ID C00003483 ,
InChIKey KHSREFIWULNDAB-VTGNASMNNA-N
InChICode InChI=1S/C18H20O5/c1-9-4-3-5-11-7-12-13(18(20)23-16(12)15(9)11)8-21-14-6-10(2)17(19)22-14/h6,8-9,12,14,16H,3-5,7H2,1-2H3/b13-8+/t9-,12+,14+,16-/m0/s1
SMILES C1CCC2=C([C@H]1C)[C@@H]1[C@H](C2)/C(=C\O[C@H]2C=C(C(=O)O2)C)/C(=O)O1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeHelianthus annuus Ref.
PlantaePoaceaeSorghum bicolor Ref.
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OrganismSorghum bicolor
ReferenceHarborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter52