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(3S,3'S,5R,5'R,6R)-6,7-Didehydro-5,6-dihydro-3,3',5,8'-tetrahydroxy-beta,kappa-caroten-6'-one

Properties

Image

Occurences in reactions

MNX_ID

MNXM115138

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

formula

C₄₀H₅₆O₅

charge

mass

616.41277

reference

hmdb:HMDB0037796

InChIKey

WFHXPAQOVQBWGU-UVMKZGRBSA-N

InChI

InChI=1S/C40H56O5/c1-28(17-13-18-30(3)21-22-35-37(5,6)24-32(41)27-40(35,10)45)15-11-12-16-29(2)19-14-20-31(4)34(43)23-36(44)39(9)26-33(42)25-38(39,7)8/h11-21,23,32-33,41-43,45H,24-27H2,1-10H3/b12-11+,17-13+,19-14+,28-15+,29-16+,30-18+,31-20+,34-23-

SMILES

C/C(C=C=C1C(C)(C)CC(O)CC1(C)O)=C\C=C\C(C)=C\C=C\C=C(C)\C=C\C=C(C)\C(O)=C\C(=O)C1(C)CC(O)CC1(C)C

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
hmdb:HMDB0037796	(3S,3'S,5R,5'R,6R)-6,7-Didehydro-5,6-dihydro-3,3',5,8'-tetrahydroxy-beta,kappa-caroten-6'-one (2Z,4E,6E,8E,10E,12E,14E,16E)-19-(2,4-dihydroxy-2,6,6-trimethylcyclohexylidene)-3-hydroxy-1-(4-hydroxy-1,2,2-trimethylcyclopentyl)-4,8,13,17-tetramethylnonadeca-2,4,6,8,10,12,14,16,18-nonaen-1-one (3S,3's,5R,5'r,6R)-6,7-Didehydro-5,6-dihydro-3,3',5,8'-tetrahydroxy-b,kappa-caroten-6'-one (3S,3's,5R,5'r,6R)-6,7-Didehydro-5,6-dihydro-3,3',5,8'-tetrahydroxy-beta,kappa-caroten-6'-one
hmdb:HMDB37796	secondary/obsolete/fantasy identifier