input word = C00056949

Metabolite InformationStructural formula
Name Saffloquinoside B
Formula C34H38O17
Mw 718.21089979
CAS RN 1215276-38-2
C_ID C00056949
InChIKey LJFXISDDRADUAD-HXQBQPMQSA-N
InChICode InChI=1S/C34H38O17/c35-12-19-22(40)24(42)26(44)30(50-19)33(11-15-3-8-17(38)9-4-15)28(46)21(18(39)10-5-14-1-6-16(37)7-2-14)29(47)34(49,32(33)48)31-27(45)25(43)23(41)20(13-36)51-31/h1-10,19-20,22-27,30-31,35-45,49H,11-13H2/b10-5+,21-18+/t19-,20-,22-,23-,24+,25+,26-,27-,30-,31-,33+,34+/m1/s1
SMILES O=C1/C(=C(O)\C=C\c2ccc(O)cc2)C(=O)[C@@](Cc2ccc(O)cc2)([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(=O)[C@@]1(O)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeCarthamus tinctorius Ref.
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