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(3S,3'R,5R,6R)-7',8'-Didehydro-3,6-epoxy-5,6-dihydro-beta,beta-carotene-3',5-diol

Properties

Image

Occurences in reactions

MNX_ID

MNXM115136

	#reac
in my sandbox	0
in MNXref (generic)	0
in models (compartimentalized)	0

formula

C₄₀H₅₄O₃

charge

mass

582.4073

reference

hmdb:HMDB0037794

InChIKey

QOCBLJWPUILPNE-RQCOEWNJSA-N

InChI

InChI=1S/C40H54O3/c1-29(17-13-19-31(3)21-22-36-33(5)25-34(41)26-37(36,6)7)15-11-12-16-30(2)18-14-20-32(4)23-24-40-38(8,9)27-35(43-40)28-39(40,10)42/h11-20,23-24,34-35,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,24-23+,29-15+,30-16+,31-19+,32-20+

SMILES

CC1=C(C#C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C23OC(CC2(C)C)CC3(C)O)C(C)(C)CC(O)C1

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
hmdb:HMDB0037794	(3S,3'R,5R,6R)-7',8'-Didehydro-3,6-epoxy-5,6-dihydro-beta,beta-carotene-3',5-diol (3S,3'r,5R,6R)-7',8'-Didehydro-3,6-epoxy-5,6-dihydro-b,b-carotene-3',5-diol (3S,3'r,5R,6R)-7',8'-Didehydro-3,6-epoxy-5,6-dihydro-beta,beta-carotene-3',5-diol 1-[(1E,3E,5E,7E,9E,11E,13E,15E)-18-(4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15-octaen-17-yn-1-yl]-2,6,6-trimethyl-7-oxabicyclo[2.2.1]heptan-2-ol Diatoxanthin 3,6-epoxide
hmdb:HMDB37794	secondary/obsolete/fantasy identifier