input word = C00030464

Metabolite InformationStructural formula
Name Hedyotisol B
Formula C42H50O16
Mw 810.30988555
CAS RN 95839-45-5
C_ID C00030464 ,
InChIKey LSWNERGQFCAXLI-UHFFFAOYNA-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 O1C[C@H]2[C@H]([C@@H]1c1cc(c(c(c1)OC)O[C@@H]([C@@H](O)c1cc(c(cc1)O)OC)CO)OC)CO[C@@H]2c1cc(c(c(c1)OC)O[C@@H]([C@@H](c1ccc(c(c1)OC)O)O)CO)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRhizophoraceaeBruguiera sexangula var.rhynchopetala Ref.
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