input word = C00056948

Metabolite InformationStructural formula
Name Saffloquinoside A
Formula C27H30O15
Mw 594.15847029
CAS RN 1215276-36-0
C_ID C00056948
InChIKey AVPPNNSAJQMDDN-AXEVCMOISA-N
InChICode InChI=1S/C27H30O15/c28-8-15-19(34)20(35)21(36)25(41-15)27(39)22(37)16(13(30)6-3-10-1-4-11(29)5-2-10)17(32)12-7-26(42-24(12)27)23(38)18(33)14(31)9-40-26/h1-6,14-15,18-21,23,25,28-31,33-36,38-39H,7-9H2/b6-3+,16-13+/t14-,15-,18-,19-,20+,21-,23+,25-,26+,27-/m1/s1
SMILES O=C1C2=C(O[C@]3(C2)OC[C@@H](O)[C@@H](O)[C@@H]3O)[C@@](O)([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(=O)/C1=C(O)\C=C\c1ccc(O)cc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeCarthamus tinctorius Ref.
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OrganismCarthamus tinctorius
ReferenceJiang, J.-S. et al., Org. Lett., 2010, 12, 1196-1199 (Saffloquinoside A)