input word = C00058443

Metabolite InformationStructural formula
Name Daphnodorin H
Formula C30H22O11
Mw 558.11621155
CAS RN 178897-27-3
C_ID C00058443
InChIKey SJKVDYNUXFTAEE-RAVJEGGQSA-N
InChICode InChI=1S/C30H22O11/c31-15-5-1-13(2-6-15)26-21(36)11-18-19(34)12-23-25(27(18)39-26)29(38)28(37)24-20(35)9-17(33)10-22(24)40-30(29,41-23)14-3-7-16(32)8-4-14/h1-10,12,21,26,31-36,38H,11H2/t21-,26+,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)[C@H](O)C4
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeThymelaeaceaeDaphne odora Ref.
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