input word = C00057282

Metabolite InformationStructural formula
Name Norrubrofusarin 6-beta-gentiobioside
Formula C26H30O15
Mw 582.15847029
CAS RN 245724-08-7
C_ID C00057282
InChIKey CUEQARUDPRWNCW-IFEXPISBSA-N
InChICode InChI=1S/C26H30O15/c1-8-2-11(29)17-12(38-8)4-9-3-10(28)5-13(16(9)20(17)32)39-26-24(36)22(34)19(31)15(41-26)7-37-25-23(35)21(33)18(30)14(6-27)40-25/h2-5,14-15,18-19,21-28,30-36H,6-7H2,1H3/t14-,15-,18-,19-,21+,22+,23-,24-,25-,26-/m1/s1
SMILES O=C1C2=C(O)C3=C(O[C@@H]4O[C@H](CO[C@H]5[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O5)[C@@H](O)[C@H](O)[C@H]4O)C=C(O)C=C3C=C2OC(C)=C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeCassia tora Ref.
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OrganismCassia tora
ReferenceNarayana, C.S. et al., CA, 1957, 51, 6740 (isol, Norrubrofusarin)