CHEBI:224701 - Cylindrol B

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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 Cylindrol B
ChEBI ID CHEBI:224701
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C23H30O4
Net Charge 0
Average Mass 370.489
Monoisotopic Mass 370.21441
InChI InChI=1S/C23H30O4/c1-14(10-11-23(5)16(3)7-9-20(25)17(23)4)6-8-18-21(26)12-15(2)19(13-24)22(18)27/h6,10-13,16-17,26-27H,7-9H2,1-5H3/b11-10+,14-6+/t16-,17+,23+/m1/s1
InChIKey AQCKKGIVKOHRLM-HBFAXEOFSA-N
SMILES O=C1[C@@H]([C@@](/C=C/C(=C/CC2=C(O)C(=C(C)C=C2O)C=O)/C)([C@H](C)CC1)C)C
Metabolite of Species Details
Cylindrocarpon lucidum (NCBI:txid301100) See: PubMed
ChEBI Ontology
Outgoing Cylindrol B (CHEBI:224701) is a hydroxybenzaldehyde (CHEBI:24673)
IUPAC Name
2,4-dihydroxy-6-methyl-3-[(2E,4E)-3-methyl-5-[(1R,2R,6R)-1,2,6-trimethyl-3-oxocyclohexyl]penta-2,4-dienyl]benzaldehyde
Manual Xref Database
8083063 ChemSpider
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