CHEBI:201954 - 7-(2-hydroxyethyl)-monascorubramine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 7-(2-hydroxyethyl)-monascorubramine
ChEBI ID CHEBI:201954
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C25H31NO5
Net Charge 0
Average Mass 425.525
Monoisotopic Mass 425.22022
InChI InChI=1S/C25H31NO5/c1-4-6-7-8-9-11-21(28)22-20-15-17-14-18(10-5-2)26(12-13-27)16-19(17)23(29)25(20,3)31-24(22)30/h5,10,14-16,27H,4,6-9,11-13H2,1-3H3/b10-5-/t25-/m0/s1
InChIKey NNVANSMEQBWXHJ-UOFFNIIQSA-N
SMILES O=C1C=2C(C=C(/C=C\C)N(C2)CCO)=CC=3[C@@]1(OC(=O)C3C(=O)CCCCCCC)C
Metabolite of Species Details
Penicillium (NCBI:txid5073) See: DOI
ChEBI Ontology
Outgoing 7-(2-hydroxyethyl)-monascorubramine (CHEBI:201954) is a polyketide (CHEBI:26188)
IUPAC Name
7-(2-hydroxyethyl)-9a-methyl-3-octanoyl-6-[(Z)-prop-1-enyl]uro[3,2-g]isoquinoline-2,9-dione
Manual Xref Database
78434708 ChemSpider
View more database links