input word = C00008796

Metabolite InformationStructural formula
Name Daphnodorin D1
Formula C30H22O9
Mw 526.1263823
CAS RN 112757-06-9
C_ID C00008796 ,
InChIKey KBUYUAWZPKKJRC-QWVACARCNA-N
InChICode InChI=1S/C30H22O9/c31-16-5-1-14(2-6-16)23-10-9-19-20(34)13-22(36)26(30(19)38-23)27-28(37)25-21(35)11-18(33)12-24(25)39-29(27)15-3-7-17(32)8-4-15/h1-8,11-13,23,31-36H,9-10H2/t23-/m0/s1
SMILES c1(cc(c2c(c1c1c(=O)c3c(oc1c1ccc(cc1)O)cc(cc3O)O)O[C@@H](CC2)c1ccc(cc1)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeThymelaeaceaeDaphne odora Ref.
PlantaeThymelaeaceaeWikstroemia sikokiana Ref.
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