input word = C00064126

Metabolite InformationStructural formula
Name Scrodentoid C
Formula C20H26O4
Mw 330.18310932
CAS RN 2025379-09-1
C_ID C00064126
InChIKey ASGGOLATGYLGML-QTJFZDIUSA-N
InChICode InChI=1S/C20H26O4/c1-11-13-9-16(21)12-8-15(18(2,3)23)17(22)10-14(12)19(13,4)6-7-20(11,5)24/h8,10,13,22-24H,1,6-7,9H2,2-5H3/t13-,19-,20+/m0/s1
SMILES C=C1C2CC(=O)c3cc(C(C)(C)O)c(O)cc3C2(C)CCC1(C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeScrophulariaceaeScrophularia dentata Ref.
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OrganismScrophularia dentata
ReferenceSingh, B and Sharma, R. V., Secondary Metabolites of Medicinal Plants, Vol. 3, (2020), Wiley-VCH Verlag GmbH and Co. KGaA.