input word = C00062611

Metabolite InformationStructural formula
Name Celephthalide C
Formula C18H28O8
Mw 372.17841787
CAS RN 654083-69-9
C_ID C00062611
InChIKey ZMZOLLLUCBNZTC-BVWOKLKOSA-N
InChICode InChI=1S/C18H28O8/c1-9(24-18-16(22)15(21)14(20)13(8-19)26-18)6-7-12-10-4-2-3-5-11(10)17(23)25-12/h5,9-10,12-16,18-22H,2-4,6-8H2,1H3/t9-,10-,12+,13+,14+,15-,16+,18+/m0/s1
SMILES CC(CCC1OC(=O)C2=CCCCC21)OC1OC(CO)C(O)C(O)C1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaeApium graveolens Ref.
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