input word = C00012861

Metabolite InformationStructural formula
Name Carmanin
[1R-(1alpha,2beta,3alpha,4abeta,5beta,8alpha,8aalpha)]-8-formyldecahydro-1,5-dihydroxy-3-[[2-(hydroxymethyl)-1-oxo-2-propenyl]oxy]-4a-methyl-alpha-methylene-2-naphthaleneacetic acid methyl ester
Formula C20H28O8
Mw 396.17841787
CAS RN 104407-67-6
C_ID C00012861 ,
InChIKey AXTHWXPLSBCNCK-AIASGIPBNA-N
InChICode InChI=1S/C20H28O8/c1-10(8-21)18(25)28-13-7-20(3)14(23)6-5-12(9-22)16(20)17(24)15(13)11(2)19(26)27-4/h9,12-17,21,23-24H,1-2,5-8H2,3-4H3/t12-,13-,14+,15+,16+,17+,20-/m0/s1
SMILES [C@@H]1([C@]2([C@H]([C@@H](CC1)C=O)[C@@H]([C@@H]([C@H](C2)OC(=O)C(=C)CO)C(=C)C(=O)OC)O)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeOnopordon carmanicum Ref.
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