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CHEBI:225649 - Bipolaricin I

ChEBI IDCHEBI:225649
ChEBI NameBipolaricin I
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H34O5
Net Charge0
Average Mass414.542
Monoisotopic Mass414.24062
SMILESCC(C)=C[C@H]1C[C@H](C)[C@]2(CC[C@]3(C)C[C@@H]4C(C)=CC(=O)C4=C(C(=O)O)[C@@H](O)C[C@H]32)O1
InChIInChI=1S/C25H34O5/c1-13(2)8-16-10-15(4)25(30-16)7-6-24(5)12-17-14(3)9-18(26)21(17)22(23(28)29)19(27)11-20(24)25/h8-9,15-17,19-20,27H,6-7,10-12H2,1-5H3,(H,28,29)/t15-,16-,17+,19-,20+,24+,25-/m0/s1
InChIKeyZSJYWMNHPFESLM-WUZOMJNVSA-N
Species of MetaboliteComponentSourceComments
Bipolaris (ncbitaxon:33194) - PubMed (31573805)
ChEBI Ontology
Outgoing Relation(s)
Bipolaricin I (CHEBI:225649) is a sesterterpenoid (CHEBI:26660)
IUPAC Name 
(1'R,2S,3S,3'R,5R,9'S,11'R)-9'-hydroxy-1',3,4'-trimethyl-5-(2-methylprop-1-enyl)-6'-oxospiro[oxolane-2,12'-tricyclo[9.3.0.03,7]tetradeca-4,7-diene]-8'-carboxylic acid