Donghaecyclinone A (CHEBI:209717)

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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	Donghaecyclinone A

ChEBI ID	CHEBI:209717

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C20H18O5

Net Charge

Average Mass

338.359

Monoisotopic Mass

338.11542

InChI

InChI=1S/C20H18O5/c1-9-8-12(21)15-10(18(9)22)6-7-14-17(15)19-11-4-3-5-13(23-2)16(11)20(24-14)25-19/h3-7,9,18-20,22H,8H2,1-2H3/t9-,18+,19+,20-/m1/s1

InChIKey

KERPHMLDJOZUCN-RWEXEPIUSA-N

SMILES

O=C1C2=C(C=CC3=C2[C@H]4O[C@@H](O3)C5=C4C=CC=C5OC)[C@@H](O)[C@@H](C1)C

Metabolite of Species	Details
Streptomyces (NCBI:txid1883)	See: PubMed

ChEBI Ontology
Outgoing	Donghaecyclinone A (CHEBI:209717) is a dibenzooxazepine (CHEBI:53802)

IUPAC Name

(1S,6R,7S,13S)-7-hydroxy-15-methoxy-6-methyl-12,20-dioxapentacyclo[11.6.1.02,11.03,8.014,19]icosa-2(11),3(8),9,14(19),15,17-hexaen-4-one