CHEBI:145956 - (3R,6'R)-3-hydroxy-3',4'-didehydro-beta,gamma-carotene

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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 (3R,6'R)-3-hydroxy-3',4'-didehydro-beta,gamma-carotene
ChEBI ID CHEBI:145956
Stars This entity has been manually annotated by a third party.
Submitter Mark Williams
Supplier Information
Download Molfile XML SDF
Formula C40H54O
Net Charge 0
Average Mass 550.871
Monoisotopic Mass 550.41747
InChI InChI=1S/C40H54O/c1-30(18-13-20-32(3)23-25-37-34(5)22-15-27-39(37,7)8)16-11-12-17-31(2)19-14-21-33(4)24-26-38-35(6)28-36(41)29-40(38,9)10/h11-26,36-37,41H,5,27-29H2,1-4,6-10H3/b12-11+,18-13+,19-14+,25-23+,26-24+,30-16+,31-17+,32-20+,33-21+/t36-,37+/m1/s1
InChIKey UIUSQYGQZRBKCC-NHWXEJKLSA-N
SMILES C1(=C(C[C@H](CC1(C)C)O)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/[C@H]2C(C=CCC2(C)C)=C)\C)\C)/C)/C
ChEBI Ontology
Outgoing (3R,6'R)-3-hydroxy-3',4'-didehydro-beta,gamma-carotene (CHEBI:145956) is a carotenol (CHEBI:23045)
Manual Xref Database
HMDB0112260 HMDB accession
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