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(2R,3S,3'S)-2,3,3'-Trihydroxy-beta,beta-carotene-4,4'-dione

Properties

Image

Occurences in reactions

MNX_ID

MNXM147727

	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	0

formula

C₄₀H₅₂O₅

charge

mass

612.38147

reference

chebi:177819

InChIKey

FHWKCLRYHASIMG-JXBZEQIMSA-N

InChI

InChI=1S/C40H52O5/c1-26(17-13-19-28(3)21-23-32-30(5)35(42)34(41)25-39(32,7)8)15-11-12-16-27(2)18-14-20-29(4)22-24-33-31(6)36(43)37(44)38(45)40(33,9)10/h11-24,34,37-38,41,44-45H,25H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,26-15+,27-16+,28-19+,29-20+/t34-,37+,38-/m0/s1

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/C2=C(C)C(=O)[C@@H](O)[C@H](O)C2(C)C)C(C)(C)C[C@H](O)C1=O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:177819 chebi:177819	(2R,3S,3'S)-2,3,3'-Trihydroxy-beta,beta-carotene-4,4'-dione (5R,6S)-5,6-dihydroxy-3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4S)-4-hydroxy-2,6,6-trimethyl-3-oxocyclohexen-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-2,4,4-trimethylcyclohex-2-en-1-one
metacyc.compound:CPD-17665 metacycM:CPD-17665 seed.compound:cpd32981 seedM:cpd32981	2-hydroxyastaxanthin
seedM:M_cpd32981	secondary/obsolete/fantasy identifier