input word = C00010124

Metabolite InformationStructural formula
Name Tectorigenin 7-O-gentiobioside
Formula C28H32O16
Mw 624.16903498
CAS RN 67604-94-8
C_ID C00010124 ,
InChIKey DEAGIDFEDRILTP-IMZMOHMLNA-N
InChICode InChI=1S/C28H32O16/c1-39-26-14(6-13-17(21(26)34)18(31)12(8-40-13)10-2-4-11(30)5-3-10)42-28-25(38)23(36)20(33)16(44-28)9-41-27-24(37)22(35)19(32)15(7-29)43-27/h2-6,8,15-16,19-20,22-25,27-30,32-38H,7,9H2,1H3/t15-,16-,19-,20-,22+,23+,24+,25-,27-,28-/m1/s1
SMILES c1(c(c(c2c(c1)occ(c2=O)c1ccc(cc1)O)O)OC)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeDalbergia sissoides Ref.
PlantaeFabaceaeDalbergia volubilis Ref.
PlantaeIridaceaeIris spuria Ref.
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