CHEBI:176090 - Cryptoflavin

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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 Cryptoflavin
ChEBI ID CHEBI:176090
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C40H56O2
Net Charge 0
Average Mass 568.886
Monoisotopic Mass 568.42803
InChI InChI=1S/C40H56O2/c1-29(18-13-19-31(3)22-23-35-33(5)26-34(41)28-39(35,8)9)16-11-12-17-30(2)20-14-21-32(4)36-27-37-38(6,7)24-15-25-40(37,10)42-36/h11-14,16-23,27,34,36,41H,15,24-26,28H2,1-10H3/b12-11+,18-13+,20-14+,23-22+,29-16+,30-17+,31-19+,32-21+
InChIKey WEJIOGMJJWSQFC-NNAJIMERSA-N
SMILES O1C2(C(C(CCC2)(C)C)=CC1/C(/C)=C/C=C/C(/C)=C/C=C/C=C(/C=C/C=C(/C=C/C=3C(CC(O)CC3C)(C)C)\C)\C)C
ChEBI Ontology
Outgoing Cryptoflavin (CHEBI:176090) is a xanthophyll (CHEBI:27325)
IUPAC Name
4-[(1E,3E,5E,7E,9E,11E,13E,15E)-16-(4,4,7a-trimethyl-2,5,6,7-tetrahydro-1-benzouran-2-yl)-3,7,12-trimethylheptadeca-1,3,5,7,9,11,13,15-octaenyl]-3,5,5-trimethylcyclohex-3-en-1-ol
Manual Xrefs Databases
4525635 ChemSpider
HMDB0036870 HMDB
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