input word = C00057283

Metabolite InformationStructural formula
Name Rubrofusarin 6-gentiobioside
Formula C27H32O15
Mw 596.17412036
CAS RN 24577-90-0
C_ID C00057283
InChIKey JIBJMBHKGBDCPN-IJTBWITGSA-N
InChICode InChI=1S/C27H32O15/c1-9-3-12(29)18-13(39-9)5-10-4-11(37-2)6-14(17(10)21(18)32)40-27-25(36)23(34)20(31)16(42-27)8-38-26-24(35)22(33)19(30)15(7-28)41-26/h3-6,15-16,19-20,22-28,30-36H,7-8H2,1-2H3/t15-,16-,19-,20-,22+,23+,24-,25-,26-,27-/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(OC)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)