input word = C00035704

Metabolite InformationStructural formula
Name Nobotanin D
Formula C34H26O22
Mw 786.09157252
CAS RN 104758-06-7
C_ID C00035704 ,
InChIKey WKPZPHSGAOCQCK-UHFFFAOYNA-N
InChICode InChI=1S/C34H26O22/c35-12-1-8(2-13(36)21(12)41)30(48)52-7-18-25(45)28-29(34(53-18)56-31(49)9-3-14(37)22(42)15(38)4-9)55-33(51)11-6-17(40)24(44)27(47)20(11)19-10(32(50)54-28)5-16(39)23(43)26(19)46/h1-6,18,25,28-29,34-47H,7H2/t18-,25+,28+,29+,34-/m0/s1
SMILES [C@H]1([C@@H](O[C@H]([C@H]2[C@@H]1OC(=O)c1c(c3c(C(=O)O2)cc(c(c3O)O)O)c(c(c(c1)O)O)O)OC(=O)c1cc(c(c(c1)O)O)O)COC(=O)c1cc(c(c(c1)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMelastomataceaeMonochaetum multiflorum Ref.
PlantaeMelastomataceaeTibouchina multiflora Ref.
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OrganismTibouchina multiflora
ReferenceYoshida,Phytochem.,52,(1999),1661