input word = C00043199

Metabolite InformationStructural formula
Name 3'''-O-Methylcrenatoside
3''-O-Methylcrenatoside
(-)-3''-O-Methylcrenatoside
Formula C30H36O15
Mw 636.20542048
CAS RN 719288-66-1
C_ID C00043199 ,
InChIKey UJSFZPXZSSCWGS-IDLXBNRONA-N
InChICode InChI=1S/C30H36O15/c1-13-23(36)24(37)25(38)29(41-13)45-27-26(44-22(35)8-4-14-3-6-17(33)19(9-14)39-2)20(11-31)43-30-28(27)42-21(12-40-30)15-5-7-16(32)18(34)10-15/h3-10,13,20-21,23-34,36-38H,11-12H2,1-2H3/b8-4+/t13-,20+,21+,23-,24+,25+,26+,27-,28+,29-,30+/m0/s1
SMILES C1[C@@H](O[C@H]2[C@H](O1)O[C@@H]([C@H]([C@@H]2O[C@@H]1O[C@H]([C@@H]([C@H]([C@H]1O)O)O)C)OC(=O)/C=C/c1cc(c(cc1)O)OC)CO)c1ccc(c(c1)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeMicrotoena prainiana Ref.
PlantaeOrobanchaceaeOrobanche coerulescens Ref.
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OrganismOrobanche coerulescens
ReferenceLi, et al., Journal of Natural Products, 67, (2004), 978.

Lin, et al., Planta Med, 70, (2004), 50