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CHEBI:197788 - 7,9-dihydroxy-3-(1H-indol-3-ylmethyl)-8-methoxy-2,3,11,11a-tetrahydro-6H-pyrazino[1,2-b]isoquinoline-1,4-dione

ChEBI IDCHEBI:197788
ChEBI Name7,9-dihydroxy-3-(1H-indol-3-ylmethyl)-8-methoxy-2,3,11,11a-tetrahydro-6H-pyrazino[1,2-b]isoquinoline-1,4-dione
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H21N3O5
Net Charge0
Average Mass407.426
Monoisotopic Mass407.14812
SMILESCOc1c(O)cc2c(c1O)CN1C(=O)[C@@H](Cc3cnc4ccccc34)NC(=O)[C@H]1C2
InChIInChI=1S/C22H21N3O5/c1-30-20-18(26)8-11-7-17-21(28)24-16(22(29)25(17)10-14(11)19(20)27)6-12-9-23-15-5-3-2-4-13(12)15/h2-5,8-9,16-17,23,26-27H,6-7,10H2,1H3,(H,24,28)/t16-,17-/m1/s1
InChIKeyFBGQHXBBNVDHIX-IAGOWNOFSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (24116376)
ChEBI Ontology
Outgoing Relation(s)
7,9-dihydroxy-3-(1H-indol-3-ylmethyl)-8-methoxy-2,3,11,11a-tetrahydro-6H-pyrazino[1,2-b]isoquinoline-1,4-dione (CHEBI:197788) is a isoquinolines (CHEBI:24922)
IUPAC Name 
(3R,11aR)-7,9-dihydroxy-3-(1H-indol-3-ylmethyl)-8-methoxy-3,6,11,11a-tetrahydro-2H-pyrazino[1,2-b]isoquinoline-1,4-dione
Manual XrefsDatabases
32033836ChemSpider