CHEBI:227489 - Divergolide L

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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 Divergolide L
ChEBI ID CHEBI:227489
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C30H35NO7
Net Charge 0
Average Mass 521.610
Monoisotopic Mass 521.24135
InChI InChI=1S/C30H35NO7/c1-6-18(8-10-20(32)22(34)13-15(2)3)9-11-21(33)26-25-19(14-17(5)28(26)36)29(37)27-24(30(25)38)16(4)7-12-23(35)31-27/h7-8,10,13-14,18,20,22,32,34,36H,6,9,11-12H2,1-5H3,(H,31,35)/b10-8+/t18-,20-,22-/m0/s1
InChIKey DZLIXQNVAUXJOZ-AJQQJHNRSA-N
SMILES O=C1NC2=C(C(=O)C=3C(=C(O)C(=CC3C2=O)C)C(=O)CC[C@H](/C=C/[C@H](O)[C@@H](O)C=C(C)C)CC)C(=CC1)C
Metabolite of Species Details
Streptomycesspecies (NCBI:txid1931) See: PubMed
ChEBI Ontology
Outgoing Divergolide L (CHEBI:227489) is a naphthoquinone (CHEBI:25481)
IUPAC Name
7-[(4R,5E,7S,8S)-4-ethyl-7,8-dihydroxy-10-methylundeca-5,9-dienoyl]-8-hydroxy-5,9-dimethyl-1,3-dihydrobenzo[h][1]benzazepine-2,6,11-trione
Manual Xref Database
35516747 ChemSpider
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