input word = C00051091

Metabolite InformationStructural formula
Name Juspurpurin
Formula C26H26O12
Mw 530.1424263
CAS RN 602331-38-4
C_ID C00051091
InChIKey XPQQZWSBYLVWQT-OVZZBAINNA-N
InChICode InChI=1S/C26H26O12/c27-7-19-22(28)23(29)24(30)26(38-19)33-9-14-8-32-25(31)21(14)20(12-1-3-15-17(5-12)36-10-34-15)13-2-4-16-18(6-13)37-11-35-16/h1-6,19-20,22-24,26-30H,7-11H2/t19-,22-,23+,24-,26-/m1/s1
SMILES O=C1OCC(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=C1C(c1ccc2c(c1)OCO2)c1ccc2c(c1)OCO2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAcanthaceaeHypoestes purpurea Ref.
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OrganismHypoestes purpurea
ReferenceKavitha, et al., Journal of Natural Products, 66, (2003), 1113