input word = C00005692

Metabolite InformationStructural formula
Name Gossypetin 3-rutinoside
Formula C27H30O17
Mw 626.14829954
CAS RN 153478-06-9
C_ID C00005692 ,
InChIKey ULRCWZOYADTIMQ-QVYDPPKWNA-N
InChICode InChI=1S/C27H30O17/c1-7-15(32)19(36)21(38)26(41-7)40-6-13-17(34)20(37)22(39)27(42-13)44-25-18(35)14-11(30)5-12(31)16(33)24(14)43-23(25)8-2-3-9(28)10(29)4-8/h2-5,7,13,15,17,19-22,26-34,36-39H,6H2,1H3/t7-,13+,15-,17+,19-,20+,21+,22+,26+,27-/m0/s1
SMILES CC1O[C@@H](OCC2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4c(O)c(O)cc(O)c4c3=O)C(O)C(O)[C@@H]2O)C(O)[C@@H](O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEricaceaeErica cinerea Ref.
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