input word = C00059528

Metabolite InformationStructural formula
Name D-altro-2-Heptulose, 1,7-bis(3,4,5-trihydroxybenzoate)
Formula C21H22O15
Mw 514.09587004
CAS RN 126622-78-4
C_ID C00059528
InChIKey YTVDPAVPCSWLBB-BYNBJNPRSA-N
InChICode InChI=1S/C21H22O15/c22-9-1-7(2-10(23)15(9)28)20(33)35-5-13(26)17(30)19(32)18(31)14(27)6-36-21(34)8-3-11(24)16(29)12(25)4-8/h1-4,13,17-19,22-26,28-32H,5-6H2/t13-,17-,18-,19-/m1/s1
SMILES O=C(OCC(=O)C(O)C(O)C(O)C(O)COC(=O)c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaePhellodendron amurense Ref.
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OrganismPhellodendron amurense
Referencehttps://doi.org/10.1002/jssc.201300794