input word = C00030091

Metabolite InformationStructural formula
Name Daphnogirin B
Formula C30H22O10
Mw 542.12129692
CAS RN 958640-21-6
C_ID C00030091 ,
InChIKey KVPJDVHJFGPPAB-HGQXBWPUNA-N
InChICode InChI=1S/C30H22O10/c31-16-5-1-14(2-6-16)22-10-9-19-20(34)13-24-26(27(19)38-22)29(37)28(36)25-21(35)11-18(33)12-23(25)39-30(29,40-24)15-3-7-17(32)8-4-15/h1-8,11-13,22,31-35,37H,9-10H2/t22-,29-,30+/m1/s1
SMILES O=C1c2c(O)cc(O)cc2O[C@@]2(c3ccc(O)cc3)Oc3cc(O)c4c(c3[C@@]12O)O[C@@H](c1ccc(O)cc1)CC4
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeThymelaeaceaeDaphne giraldii Ref.
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