CHEBI:226021 - Alternarlactone A

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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 Alternarlactone A
ChEBI ID CHEBI:226021
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C29H18O12
Net Charge 0
Average Mass 558.451
Monoisotopic Mass 558.07983
InChI InChI=1S/C29H18O12/c1-28-7-14(33)29(36)21-12(37-2)4-8(30)15-18(21)17-11(39-26(15)34)6-10(32)24-20(17)23(29)22(28)19-16(27(35)41-28)9(31)5-13(38-3)25(19)40-24/h4-6,30-32,36H,7H2,1-3H3/t28-,29+/m1/s1
InChIKey OFVMKRVGBKSDLT-WDYNHAJCSA-N
SMILES O=C1OC2=C3C4=C(OC=5C(OC)=CC(=C6C5C7=C4[C@](C=8C3=C1C(O)=CC8OC)(O)C(=O)C[C@]7(OC6=O)C)O)C(=C2)O
Metabolite of Species Details
Alternaria (NCBI:txid5598) See: PubMed
ChEBI Ontology
Outgoing Alternarlactone A (CHEBI:226021) is a dibenzooxazepine (CHEBI:53802)
IUPAC Name
(24R,27R)-8,14,20,27-tetrahydroxy-6,18-dimethoxy-24-methyl-11,16,23-trioxaoctacyclo[15.10.2.02,15.03,12.04,9.05,27.021,29.024,28]nonacosa-1(28),2(15),3(12),4(9),5,7,13,17,19,21(29)-decaene-10,22,26-trione
Manual Xref Database
81360814 ChemSpider
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