input word = C00055088

Metabolite InformationStructural formula
Name 2,3-Bis(4-hydroxy-3-methylphenyl)methyl-1,2,4-butanetriol
Formula C20H26O7
Mw 378.16785319
CAS RN 58139-12-1
C_ID C00055088
InChIKey INPPVVSEQRZCLJ-MGPUTAFESA-N
InChICode InChI=1S/C20H26O7/c1-26-18-8-13(3-5-16(18)23)7-15(11-21)20(25,12-22)10-14-4-6-17(24)19(9-14)27-2/h3-6,8-9,15,21-25H,7,10-12H2,1-2H3/t15-,20+/m0/s1
SMILES COc1cc(C[C@@H](CO)[C@](O)(CO)Cc2ccc(O)c(OC)c2)ccc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeCarissa carandas Ref.
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OrganismCarissa carandas
ReferencePal, R. et al., Phytochemistry, 1975, 14, 2302 (isol, struct)