input word = C00030463

Metabolite InformationStructural formula
Name Hedyotisol A
Formula C42H50O16
Mw 810.30988555
CAS RN 95732-59-5
C_ID C00030463 ,
InChIKey LSWNERGQFCAXLI-BRZWWFBUNA-N
InChICode InChI=1S/C42H50O16/c1-49-29-11-21(7-9-27(29)45)37(47)35(17-43)57-41-31(51-3)13-23(14-32(41)52-4)39-25-19-56-40(26(25)20-55-39)24-15-33(53-5)42(34(16-24)54-6)58-36(18-44)38(48)22-8-10-28(46)30(12-22)50-2/h7-16,25-26,35-40,43-48H,17-20H2,1-6H3/t25-,26-,35+,36+,37+,38+,39+,40+/m1/s1
SMILES COc1cc([C@H](O)[C@H](CO)Oc2c(OC)cc([C@@H]3OC[C@@H]4[C@H]3CO[C@H]4c3cc(OC)c(O[C@@H](CO)[C@@H](O)c4ccc(O)c(OC)c4)c(OC)c3)cc2OC)ccc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRhizophoraceaeBruguiera sexangula var.rhynchopetala Ref.
PlantaeRubiaceaeTarenna attenuata Ref.
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