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CHEBI:225625 - Bipolaricin D

ChEBI IDCHEBI:225625
ChEBI NameBipolaricin D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H34O4
Net Charge0
Average Mass398.543
Monoisotopic Mass398.24571
SMILESCC(C)=C[C@H]1C[C@H](C)[C@]2(CC[C@]3(C)C[C@@H]4C(C)=CC(=O)[C@H]4C(C(=O)O)=CC[C@H]32)O1
InChIInChI=1S/C25H34O4/c1-14(2)10-17-12-16(4)25(29-17)9-8-24(5)13-19-15(3)11-20(26)22(19)18(23(27)28)6-7-21(24)25/h6,10-11,16-17,19,21-22H,7-9,12-13H2,1-5H3,(H,27,28)/t16-,17-,19+,21+,22-,24+,25-/m0/s1
InChIKeyCTSVZRAXIDMCJX-AWTDKLLZSA-N
Species of MetaboliteComponentSourceComments
Bipolaris (ncbitaxon:33194) - PubMed (31573805)
ChEBI Ontology
Outgoing Relation(s)
Bipolaricin D (CHEBI:225625) is a sesterterpenoid (CHEBI:26660)
IUPAC Name 
(1'R,2S,3S,3'S,5R,7'R,11'R)-1',3,4'-trimethyl-5-(2-methylprop-1-enyl)-6'-oxospiro[oxolane-2,12'-tricyclo[9.3.0.03,7]tetradeca-4,8-diene]-8'-carboxylic acid