input word = C00008955

Metabolite InformationStructural formula
Name Daphnodorin B
Formula C30H22O10
Mw 542.12129692
CAS RN 95733-02-1
C_ID C00008955 ,
InChIKey JBNFGJOTOPTIDE-FJNWXMSVNA-N
InChICode InChI=1S/C30H22O10/c31-15-5-1-13(2-6-15)28-22(37)11-18-19(34)12-23-25(30(18)40-28)26(29(39-23)14-3-7-16(32)8-4-14)27(38)24-20(35)9-17(33)10-21(24)36/h1-10,12,22,28,31-37H,11H2/t22-,28+/m0/s1
SMILES c1(c2c(c3c(c1)oc(c3C(=O)c1c(cc(cc1O)O)O)c1ccc(cc1)O)O[C@@H]([C@H](C2)O)c1ccc(cc1)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeThymelaeaceaeDaphne odora Ref.
PlantaeThymelaeaceaeStellera chamaejasme L. Ref.
PlantaeThymelaeaceaeWikstroemia sikokiana Ref.
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