input word = C00054759

Metabolite InformationStructural formula
Name Celephthalide B
Formula C23H32O12
Mw 500.18937649
CAS RN 638207-89-3
C_ID C00054759
InChIKey AQFHCINVOSWVHN-MXPDVPMWSA-N
InChICode InChI=1S/C23H32O12/c1-11(6-7-14-12-4-2-3-5-13(12)20(29)34-14)33-21-18(27)17(26)16(25)15(35-21)8-31-22-19(28)23(30,9-24)10-32-22/h2-5,11,14-19,21-22,24-28,30H,6-10H2,1H3/t11-,14?,15+,16+,17-,18+,19-,21+,22+,23+/m0/s1
SMILES O=C1C2=CC=CC=C2C(CC[C@H](C)O[C@@H]3O[C@H](CO[C@H]4[C@H](O)[C@@](O)(CO)CO4)[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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