input word = C00054758

Metabolite InformationStructural formula
Name Celephthalide A
Formula C18H24O8
Mw 368.14711774
CAS RN 638207-88-2
C_ID C00054758
InChIKey JXLOFNHWMAAUEM-VXGGFUAWSA-N
InChICode InChI=1S/C18H24O8/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/h2-5,9,12-16,18-22H,6-8H2,1H3/t9-,12?,13+,14+,15-,16+,18+/m0/s1
SMILES O=C1C2=CC=CC=C2C(CC[C@H](C)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)O1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaeApium graveolens Ref.
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