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CHEBI:205950 - Dihydrobipolaroxin C

ChEBI IDCHEBI:205950
ChEBI NameDihydrobipolaroxin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H38O7
Net Charge0
Average Mass510.627
Monoisotopic Mass510.26175
SMILESC=C(CO[C@]12C=C3C=C[C@H](O)[C@H](C)[C@@]3(C)C[C@@]1(O)C(=C)CO2)[C@]1(O)C[C@@]2(C)C(=CC1=O)C=C[C@H](O)[C@@H]2C
InChIInChI=1S/C30H38O7/c1-17(28(34)15-26(5)19(3)23(31)9-7-21(26)11-25(28)33)13-36-30-12-22-8-10-24(32)20(4)27(22,6)16-29(30,35)18(2)14-37-30/h7-12,19-20,23-24,31-32,34-35H,1-2,13-16H2,3-6H3/t19-,20-,23-,24-,26+,27+,28+,29+,30-/m0/s1
InChIKeyLDKGZUOCOKPVPT-BBNTYDIESA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (27096861)
ChEBI Ontology
Outgoing Relation(s)
Dihydrobipolaroxin C (CHEBI:205950) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(3R,4aR,5R,6S)-3-[3-[[(3aR,4aR,5R,6S,9aR)-3a,6-dihydroxy-4a,5-dimethyl-3-methylidene-5,6-dihydro-4H-benzo[][1]benzouran-9a-yl]oxy]prop-1-en-2-yl]-3,6-dihydroxy-4a,5-dimethyl-5,6-dihydro-4H-naphthalen-2-one
Manual XrefsDatabases
58196777ChemSpider