Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-05-15 08:47:58 UTC
Update Date2024-10-17 17:41:22 UTC
Metabolite IDMMDBc0018627
Metabolite Identification
Common NameFumitremorgin A
DescriptionFumitremorgin A belongs to the class of organic compounds known as beta carbolines. Beta carbolines are compounds containing a 9H-pyrido[3,4-b]indole moiety. Based on a literature review a significant number of articles have been published on Fumitremorgin A.
Structure
Synonyms
ValueSource
Fumitremorgin a, 5S-(5alpha,10beta,10abeta,14aalpha,15balpha)-isomerMeSH
Molecular FormulaC32H41N3O7
Average Mass579.694
Monoisotopic Mass579.294450672
IUPAC Name(9R,14S,17S,23R,24S)-23-hydroxy-5-methoxy-12,12-dimethyl-24-[(3-methylbut-2-en-1-yl)oxy]-9-(2-methylprop-1-en-1-yl)-10,11-dioxa-8,15,21-triazahexacyclo[12.10.1.0^{2,7}.0^{8,25}.0^{15,23}.0^{17,21}]pentacosa-1(25),2(7),3,5-tetraene-16,22-dione
Traditional Name(9R,14S,17S,23R,24S)-23-hydroxy-5-methoxy-12,12-dimethyl-24-[(3-methylbut-2-en-1-yl)oxy]-9-(2-methylprop-1-en-1-yl)-10,11-dioxa-8,15,21-triazahexacyclo[12.10.1.0^{2,7}.0^{8,25}.0^{15,23}.0^{17,21}]pentacosa-1(25),2(7),3,5-tetraene-16,22-dione
CAS Registry NumberNot Available
SMILES
[H][C@@]12CCCN1C(=O)[C@@]1(O)N(C2=O)[C@@]2([H])CC(C)(C)OO[C@]([H])(C=C(C)C)N3C4=C(C=CC(OC)=C4)C(=C23)[C@]1([H])OCC=C(C)C
InChI Identifier
InChI=1S/C32H41N3O7/c1-18(2)12-14-40-28-26-21-11-10-20(39-7)16-23(21)34-25(15-19(3)4)41-42-31(5,6)17-24(27(26)34)35-29(36)22-9-8-13-33(22)30(37)32(28,35)38/h10-12,15-16,22,24-25,28,38H,8-9,13-14,17H2,1-7H3/t22-,24-,25+,28-,32+/m0/s1
InChI KeyACGHJVZDNQZJOV-BMOJZYMJSA-N