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

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ChEBI Name 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 ID CHEBI:197788
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C22H21N3O5
Net Charge 0
Average Mass 407.426
Monoisotopic Mass 407.14812
InChI InChI=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
InChIKey FBGQHXBBNVDHIX-IAGOWNOFSA-N
SMILES O=C1N2[C@@H](C(=O)N[C@@H]1CC=3C4=C(C=CC=C4)NC3)CC=5C=C(O)C(=C(C5C2)O)OC
Metabolite of Species Details
Aspergillus (NCBI:txid5052) See: PubMed
ChEBI Ontology
Outgoing 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 Xref Database
32033836 ChemSpider
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