Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-05-15 13:04:53 UTC
Update Date2022-08-31 06:48:16 UTC
Metabolite IDMMDBc0023028
Metabolite Identification
Common NamePretrichodermamide E
DescriptionPretrichodermamide E belongs to the class of organic compounds known as methoxyphenols. Methoxyphenols are compounds containing a methoxy group attached to the benzene ring of a phenol moiety. Based on a literature review very few articles have been published on Pretrichodermamide E.
Structure
SynonymsNot Available
Molecular FormulaC21H24N2O9S2
Average Mass512.55
Monoisotopic Mass512.092322709
IUPAC Name(1R,3S,6S,7R,8S,12S,13S)-3,6,7-trihydroxy-13-(2-hydroxy-3,4-dimethoxyphenyl)-17-methyl-9-oxa-14,15-dithia-10,17-diazatetracyclo[10.3.2.0^{1,10}.0^{3,8}]heptadec-4-ene-11,16-dione
Traditional Name(1R,3S,6S,7R,8S,12S,13S)-3,6,7-trihydroxy-13-(2-hydroxy-3,4-dimethoxyphenyl)-17-methyl-9-oxa-14,15-dithia-10,17-diazatetracyclo[10.3.2.0^{1,10}.0^{3,8}]heptadec-4-ene-11,16-dione
CAS Registry NumberNot Available
SMILES
[H][C@]1(O)C=C[C@@]2(O)C[C@@]34SS[C@@]([H])(C5=C(O)C(OC)=C(OC)C=C5)[C@@]([H])(N(C)C3=O)C(=O)N4O[C@@]2([H])[C@]1([H])O
InChI Identifier
InChI=1S/C21H24N2O9S2/c1-22-12-16(9-4-5-11(30-2)15(31-3)13(9)25)33-34-21(19(22)28)8-20(29)7-6-10(24)14(26)17(20)32-23(21)18(12)27/h4-7,10,12,14,16-17,24-26,29H,8H2,1-3H3/t10-,12+,14+,16-,17-,20+,21+/m0/s1
InChI KeyPURMOBRKHQNGMM-YIKPZMDPSA-N