input word = C00008279

Metabolite InformationStructural formula
Name Butin-7-O-beta-D-glucopyranoside
Isocoreopsin
Formula C21H22O10
Mw 434.12129692
CAS RN 30382-18-4
C_ID C00008279 ,
InChIKey AWENDZQUFCJISN-YWZRKEQENA-N
InChICode InChI=1S/C21H22O10/c22-8-17-18(26)19(27)20(28)21(31-17)29-10-2-3-11-13(24)7-15(30-16(11)6-10)9-1-4-12(23)14(25)5-9/h1-6,15,17-23,25-28H,7-8H2/t15-,17+,18-,19+,20-,21-/m1/s1
SMILES c1(ccc2c(c1)O[C@H](CC2=O)c1ccc(c(c1)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)CO)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeBidens sp. Ref.
PlantaeAsteraceaeCoreopsis sp. Ref.
PlantaeAsteraceaeCosmos sp. Ref.
PlantaeAsteraceaeDahlia sp. Ref.
PlantaeOleaceaeJasminum officinale Ref.
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OrganismJasminum officinale
ReferenceSingh, B and Sharma, R. V., Secondary Metabolites of Medicinal Plants, Vol. 2, (2020), Wiley-VCH Verlag GmbH and Co. KGaA.