CHEBI:211082 - Gilluone B

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 Gilluone B
ChEBI ID CHEBI:211082
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C28H39NO9
Net Charge 0
Average Mass 533.618
Monoisotopic Mass 533.26248
InChI InChI=1S/C28H39NO9/c1-10-14(3)20(31)19-21(37-9)16(23(32)27(6,35)22(19)29)13-26(5)18(36-8)12-17(30)28(7,25(26)34)38-24(33)15(4)11-2/h12,14-15,35H,10-11,13,29H2,1-9H3/t14-,15-,26-,27-,28-/m1/s1
InChIKey OMJCMAHMVILRNE-NMVZWQPUSA-N
SMILES O=C1C(=C(OC)C(C(=O)[C@@H](CC)C)=C([C@]1(O)C)N)C[C@@]2(C(OC)=CC(=O)[C@](C2=O)(OC(=O)[C@@H](CC)C)C)C
Metabolite of Species Details
Aspergillus (NCBI:txid5052) See: DOI
ChEBI Ontology
Outgoing Gilluone B (CHEBI:211082) is a benzoquinones (CHEBI:22729)
Gilluone B (CHEBI:211082) is a quinone (CHEBI:36141)
IUPAC Name
[(1R,5R)-5-[[(5R)-4-amino-5-hydroxy-2-methoxy-5-methyl-3-[(2R)-2-methylbutanoyl]-6-oxocyclohexa-1,3-dien-1-yl]methyl]-4-methoxy-1,5-dimethyl-2,6-dioxocyclohex-3-en-1-yl] (2R)-2-methylbutanoate
Manual Xref Database
77089212 ChemSpider
View more database links