Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-05-15 00:09:59 UTC
Update Date2022-08-31 06:25:54 UTC
Metabolite IDMMDBc0006729
Metabolite Identification
Common NameChaetoglobosin D
DescriptionBased on a literature review very few articles have been published on (3S,4S,6S,6aR,10S,13R,17aS,17bR)-1,6,13-trihydroxy-3-[(1H-indol-3-yl)methyl]-4,10,12-trimethyl-5-methylidene-3H,4H,5H,6H,6aH,9H,10H,13H,14H,17H,17bH-cyclotrideca[e]isoindole-14,17-dione.
Structure
SynonymsNot Available
Molecular FormulaC32H36N2O5
Average Mass528.649
Monoisotopic Mass528.262422267
IUPAC Name(3S,4S,6S,6aR,10S,13R,17aS,17bR)-1,6,13-trihydroxy-3-[(1H-indol-3-yl)methyl]-4,10,12-trimethyl-5-methylidene-3H,4H,5H,6H,6aH,9H,10H,13H,14H,17H,17bH-cyclotrideca[e]isoindole-14,17-dione
Traditional Name(3S,4S,6S,6aR,10S,13R,17aS,17bR)-1,6,13-trihydroxy-3-(1H-indol-3-ylmethyl)-4,10,12-trimethyl-5-methylidene-3H,4H,6H,6aH,9H,10H,13H,17bH-cyclotrideca[e]isoindole-14,17-dione
CAS Registry NumberNot Available
SMILES
[H]\C1=C([H])\[C@@]2([H])[C@]([H])(O)C(=C)[C@@]([H])(C)[C@@]3([H])[C@]([H])(CC4=CNC5=CC=CC=C45)N=C(O)[C@@]23C(=O)C([H])=C([H])C(=O)[C@]([H])(O)\C(C)=C([H])/[C@@]([H])(C)C1
InChI Identifier
InChI=1S/C32H36N2O5/c1-17-8-7-10-23-30(38)20(4)19(3)28-25(15-21-16-33-24-11-6-5-9-22(21)24)34-31(39)32(23,28)27(36)13-12-26(35)29(37)18(2)14-17/h5-7,9-14,16-17,19,23,25,28-30,33,37-38H,4,8,15H2,1-3H3,(H,34,39)/b10-7-,13-12+,18-14-/t17-,19+,23-,25-,28-,29+,30+,32+/m0/s1
InChI KeyFTBNYQWFSWKCKW-FASUOTKSSA-N