input word = C00005360

Metabolite InformationStructural formula
Name Sexangularetin 3,7-diglucoside
Formula C28H32O17
Mw 640.1639496
CAS RN 106009-64-7
C_ID C00005360 ,
InChIKey CFIHXLIHVDSMJY-DMTQGWJRNA-N
InChICode InChI=1S/C28H32O17/c1-40-24-12(41-27-21(38)19(36)16(33)13(7-29)42-27)6-11(32)15-18(35)26(23(44-25(15)24)9-2-4-10(31)5-3-9)45-28-22(39)20(37)17(34)14(8-30)43-28/h2-6,13-14,16-17,19-22,27-34,36-39H,7-8H2,1H3/t13-,14+,16-,17-,19+,20-,21-,22+,27-,28+/m1/s1
SMILES COc1c(O[C@@H]2OC(CO)[C@@H](O)[C@H](O)C2O)cc(O)c2c(=O)c(O[C@@H]3OC(CO)[C@@H](O)C(O)C3O)c(-c3ccc(O)cc3)oc12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCrassulaceaeSedum sarmentosum Ref.
PlantaeZygophyllaceaeFagonia arabica Ref.
PlantaeZygophyllaceaeFagonia taeckholmiana Ref.
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