input word = C00034173

Metabolite InformationStructural formula
Name Procumbenoside A
(-)-Procumbenoside A
Formula C31H32O15
Mw 644.17412036
CAS RN 408358-51-0
C_ID C00034173 ,
InChIKey HBUCXSOGVZJQHH-GWYCZBLQNA-N
InChICode InChI=1S/C31H32O15/c1-38-19-6-14-15(7-20(19)39-2)26(16-8-40-28(36)23(16)22(14)13-3-4-18-21(5-13)44-12-43-18)45-30-27(31(37,10-32)11-42-30)46-29-25(35)24(34)17(33)9-41-29/h3-7,17,24-25,27,29-30,32-35,37H,8-12H2,1-2H3/t17-,24-,25+,27-,29-,30-,31+/m0/s1
SMILES c12c(c(c3c(c1O[C@H]1[C@@H]([C@@](CO1)(O)CO)O[C@@H]1OC[C@@H]([C@@H]([C@H]1O)O)O)cc(c(c3)OC)OC)c1cc3c(cc1)OCO3)C(=O)OC2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAcanthaceaeJusticia procumbens Ref.
PlantaeClusiaceae/Clusiaceae-GuttiferaeGarcinia subelliptica Merr. Ref.
--Rostellularia procumbense Ref.
--Usticia procumbens Ref.
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OrganismRostellularia procumbense
ReferenceDay, et al., JNP, 65, (2002), 379