input word = C00014329

Metabolite InformationStructural formula
Name 5,6,7,4'-Tetrahydroxyflavanone 6,7-diglucoside
Formula C27H32O16
Mw 612.16903498
CAS RN 501434-65-7
C_ID C00014329 ,
InChIKey YIVXUBJSZSRYMU-FBOGHZKDNA-N
InChICode InChI=1S/C27H32O16/c28-7-15-18(32)21(35)23(37)26(41-15)40-14-6-13-17(11(31)5-12(39-13)9-1-3-10(30)4-2-9)20(34)25(14)43-27-24(38)22(36)19(33)16(8-29)42-27/h1-4,6,12,15-16,18-19,21-24,26-30,32-38H,5,7-8H2/t12-,15-,16-,18-,19-,21+,22+,23-,24+,26-,27+/m1/s1
SMILES c1(cc2c(c(c1O[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)C(=O)C[C@@H](O2)c1ccc(cc1)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeCarthamus tinctorius Ref.
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OrganismCarthamus tinctorius
ReferenceLi,Chin,J.Chem.,20,(2002),699