CHEBI:214300 - Myrothecisin C

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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 Myrothecisin C
ChEBI ID CHEBI:214300
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C25H34O6
Net Charge 0
Average Mass 430.541
Monoisotopic Mass 430.23554
InChI InChI=1S/C25H34O6/c1-14-6-7-19-20(8-9-22(24(19,3)4)31-15(2)28)25(14,5)11-17-21(29)10-16(12-26)18(13-27)23(17)30/h8,10,13-14,19,22,26,29-30H,6-7,9,11-12H2,1-5H3/t14-,19-,22+,25-/m1/s1
InChIKey XULYKWDONUXBJD-JYMQEWJJSA-N
SMILES O=C(O[C@@H]1C([C@H]2C([C@@]([C@H](C)CC2)(CC3=C(O)C(=C(CO)C=C3O)C=O)C)=CC1)(C)C)C
Metabolite of Species Details
Myrotheciumspecies OUCMDZ-2784 (NCBI:txid1440508) See: PubMed
ChEBI Ontology
Outgoing Myrothecisin C (CHEBI:214300) is a hydroxybenzaldehyde (CHEBI:24673)
IUPAC Name
[(2S,5R,6R,8aR)-5-[[3-ormyl-2,6-dihydroxy-4-(hydroxymethyl)phenyl]methyl]-1,1,5,6-tetramethyl-2,3,6,7,8,8a-hexahydronaphthalen-2-yl] acetate
Manual Xref Database
71048915 ChemSpider
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