input word = C00058444

Metabolite InformationStructural formula
Name Daphnodorin K
Formula C30H22O9
Mw 526.1263823
CAS RN 113900-87-1
C_ID C00058444
InChIKey FCUWDVBZVROKAY-UHFFFAOYSA-N
InChICode InChI=1S/C30H22O9/c31-16-5-1-14(2-6-16)22-10-9-19-23(38-22)13-21(35)26(28(19)36)27-29(37)25-20(34)11-18(33)12-24(25)39-30(27)15-3-7-17(32)8-4-15/h1-8,11-13,22,31-36H,9-10H2
SMILES O=c1c(-c2c(O)cc3c(c2O)CCC(c2ccc(O)cc2)O3)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeThymelaeaceaeDaphne odora Ref.
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OrganismDaphne odora
ReferenceM. Taniguchi et al., Chem. Abs., (1997), 127, 2985.