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dinochrome A

Properties

Image

Occurences in reactions

MNX_ID

MNXM104603

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

formula

C₄₂H₅₈O₅

charge

mass

642.42842

reference

chebi:65797

InChIKey

KXMXJSVCINTGDB-USNMBHGSSA-N

InChI

InChI=1S/C42H58O5/c1-29(18-14-19-31(3)22-23-37-40(8,9)27-35(46-33(5)43)28-41(37,10)45)16-12-13-17-30(2)20-15-21-32(4)36-24-38-39(6,7)25-34(44)26-42(38,11)47-36/h12-22,24,34-36,44-45H,25-28H2,1-11H3/b13-12+,18-14+,20-15+,29-16+,30-17+,31-19+,32-21+/t23?,34-,35-,36+,41+,42+/m0/s1

SMILES

CC(=O)O[C@H]1CC(C)(C)C(=C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)[C@H]2C=C3C(C)(C)C[C@H](O)C[C@@]3(C)O2)[C@](C)(O)C1

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:65797 chebi:65797	dinochrome A (3S,3'S,5R,5'R,6'R,8R,8'R,9cis)-3,5'-dihydroxy-6,7'-didehydro-5,5',6,8-tetrahydro-5,8-epoxy-beta,beta-caroten-3'-yl acetate (3S,5R,6R,3'S,5'R,8'R)-5',8'-epoxy-6,7-didehydro-5,6,5',8'-tetrahydro-beta,beta- carotene-3,5,39-triol 3-O-acetate