CHEBI:224164 - Cochliobolin F

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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 Cochliobolin F
ChEBI ID CHEBI:224164
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C21H34O7
Net Charge 0
Average Mass 398.496
Monoisotopic Mass 398.23045
InChI InChI=1S/C21H34O7/c1-10(2)12-5-6-21(4)11(3)13(7-22)16(12)14(21)9-27-20-19(26)18(25)17(24)15(8-23)28-20/h7,10,12,14-20,23-26H,5-6,8-9H2,1-4H3/t12-,14+,15-,16-,17-,18+,19-,20-,21+/m1/s1
InChIKey PVXSCEGGDVHDMG-WYAZQVSJSA-N
SMILES O=CC1=C([C@@]2(CC[C@@H]([C@H]1[C@@H]2CO[C@@H]3O[C@@H]([C@@H](O)[C@@H]([C@H]3O)O)CO)C(C)C)C)C
Metabolite of Species Details
Bipolaris sorokiniana (NCBI:txid45130) See: PubMed
ChEBI Ontology
Outgoing Cochliobolin F (CHEBI:224164) is a terpene glycoside (CHEBI:61777)
IUPAC Name
(1R,4R,5S,8S)-1,7-dimethyl-4-propan-2-yl-8-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]bicyclo[3.2.1]oct-6-ene-6-carbaldehyde