input word = C00056435

Metabolite InformationStructural formula
Name 4-Hydroxyphenyl beta-D-glucopyranosyl-(1->2)-beta-D-glucopyranoside
4-Hydroxyphenyl beta-sophoroside
Formula C18H26O12
Mw 434.1424263
CAS RN 1085850-98-1
C_ID C00056435
InChIKey COZQDHBXGXLQCI-GSPJEIBNSA-N
InChICode InChI=1S/C18H26O12/c19-5-9-11(22)13(24)15(26)17(28-9)30-16-14(25)12(23)10(6-20)29-18(16)27-8-3-1-7(21)2-4-8/h1-4,9-26H,5-6H2/t9-,10-,11-,12-,13+,14+,15-,16-,17+,18-/m1/s1
SMILES OC[C@H]1O[C@@H](O[C@H]2[C@H](Oc3ccc(O)cc3)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeLycopersicon esculentum var. cerasiforme Ref.
PlantaeSolanaceaeSolanum lycopersicum Ref.
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OrganismLycopersicon esculentum var. cerasiforme
ReferenceHaslam, E. et al., JCS, Suppl. I, 1964, 5649-5654 (2-O-Caffeoylarbutin)