input word = C00002763

Metabolite InformationStructural formula
Name Orobanchoside
Formula C29H36O16
Mw 640.20033511
CAS RN 61276-16-2
C_ID C00002763 ,
InChIKey PZTVNHKDWVHORF-VJUSBRCFNA-N
InChICode InChI=1S/C29H36O16/c1-12-22(37)23(38)24(39)28(42-12)45-27-25(40)26(44-21(36)7-3-13-2-5-15(31)17(33)8-13)20(10-30)43-29(27)41-11-19(35)14-4-6-16(32)18(34)9-14/h2-9,12,19-20,22-35,37-40H,10-11H2,1H3/b7-3+/t12-,19-,20+,22+,23+,24-,25+,26+,27-,28+,29-/m1/s1
SMILES CC1O[C@@H](OC2[C@H](OC[C@@H](O)c3ccc(O)c(O)c3)OC(CO)[C@@H](OC(=O)/C=C/c3ccc(O)c(O)c3)[C@@H]2O)C(O)[C@@H](O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeOrobanchaceaeOrobanche rapum Ref.
PlantaeOrobanchaceaeOrobanche rapum-genistae Ref.
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