CHEBI:217243 - Arugosin G

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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 Arugosin G
ChEBI ID CHEBI:217243
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C30H36O6
Net Charge 0
Average Mass 492.612
Monoisotopic Mass 492.25119
InChI InChI=1S/C30H36O6/c1-16(2)8-10-20-15-21(11-9-17(3)4)29-25(26(20)32)27(33)23-22(31)14-19(7)28(24(23)30(34)36-29)35-13-12-18(5)6/h8-9,12,14-15,30-32,34H,10-11,13H2,1-7H3/t30-/m0/s1
InChIKey SKRQPJZOWGXGMD-PMERELPUSA-N
SMILES O=C1C2=C(O[C@@H](C=3C1=C(O)C=C(C)C3OCC=C(C)C)O)C(=CC(=C2O)CC=C(C)C)CC=C(C)C
Metabolite of Species Details
Aspergillus nidulans var. acristatus (NCBI:txid286159) See: PubMed
ChEBI Ontology
Outgoing Arugosin G (CHEBI:217243) is a dibenzooxazepine (CHEBI:53802)
IUPAC Name
1,6,10-trihydroxy-8-methyl-7-(3-methylbut-2-enoxy)-2,4-bis(3-methylbut-2-enyl)-6H-benzo[c][1]benzoxepin-11-one
Manual Xref Database
10018715 ChemSpider
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