input word = C00014530

Metabolite InformationStructural formula
Name Daphnodorin I
Formula C30H22O10
Mw 542.12129692
CAS RN 178897-28-4
C_ID C00014530 ,
InChIKey BYBKYSAHKVMKNH-LXPGWAKSNA-N
InChICode InChI=1S/C30H22O10/c31-15-5-1-13(2-6-15)26-21(36)11-18-19(34)12-23-25(27(18)39-26)30(29(38-23)14-3-7-16(32)8-4-14)28(37)24-20(35)9-17(33)10-22(24)40-30/h1-10,12,21,26,29,31-36H,11H2/t21-,26+,29-,30+/m0/s1
SMILES O=C1c2c(O)cc(O)cc2O[C@]12c1c(cc(O)c3c1O[C@H](c1ccc(O)cc1)[C@@H](O)C3)O[C@H]2c1ccc(O)cc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeThymelaeaceaeDaphne odora Ref.
PlantaeThymelaeaceaeStellera chamaejasme L. Ref.
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OrganismDaphne odora
ReferenceTaniguchi,Phytochem.,42,(1996),1447