input word = C00038848

Metabolite InformationStructural formula
Name Corotoxigenin 3-O-sulfate
(+)-Corotoxigenin 3-O-sulfate
Formula C23H32O8S
Mw 468.18178873
CAS RN 259752-92-6
C_ID C00038848 ,
InChIKey LQKIRCWMZFJFKX-COUMITRENA-N
InChICode InChI=1S/C23H32O8S/c1-21-7-5-18-19(23(21,26)9-6-17(21)14-10-20(25)30-12-14)3-2-15-11-16(31-32(27,28)29)4-8-22(15,18)13-24/h10,13,15-19,26H,2-9,11-12H2,1H3,(H,27,28,29)/t15-,16-,17+,18-,19+,21+,22+,23-/m0/s1
SMILES C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](OS(=O)(=O)O)CC[C@@]43C=O)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeAdonis aleppica BOISS Ref.
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