input word = C00004247

Metabolite InformationStructural formula
Name Isoscutellarein 7-neohesperidoside
Formula C27H30O15
Mw 594.15847029
CAS RN 110011-53-5
C_ID C00004247 ,
InChIKey FFYJBONLMQRNGY-KHUXKCDONA-N
InChICode InChI=1S/C27H30O15/c1-9-18(32)21(35)23(37)26(38-9)42-25-22(36)19(33)16(8-28)41-27(25)40-15-7-13(31)17-12(30)6-14(39-24(17)20(15)34)10-2-4-11(29)5-3-10/h2-7,9,16,18-19,21-23,25-29,31-37H,8H2,1H3/t9-,16-,18-,19+,21-,22-,23+,25+,26-,27+/m0/s1
SMILES CC1O[C@@H](OC2[C@H](Oc3cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc4c3O)OC(CO)[C@@H](O)[C@@H]2O)C(O)[C@@H](O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeClusiaceae/Clusiaceae-GuttiferaeGarcinia andamanica Ref.
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