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bisanhydrobacterioruberin

Properties

Image

Occurences in reactions

MNX_ID

MNXM147440

	#reac
in my sandbox	0
in MNXref (generic)	6
in models (compartimentalized)	0

formula

C₅₀H₇₂O₂

charge

mass

704.55323

reference

chebi:87121

InChIKey

YSNDIOZFQNZVGY-SOGLEDDYSA-N

InChI

InChI=1S/C50H72O2/c1-39(2)31-35-47(49(11,12)51)37-33-45(9)29-19-27-43(7)25-17-23-41(5)21-15-16-22-42(6)24-18-26-44(8)28-20-30-46(10)34-38-48(50(13,14)52)36-32-40(3)4/h15-34,37-38,47-48,51-52H,35-36H2,1-14H3/b16-15+,23-17+,24-18+,27-19+,28-20+,37-33+,38-34+,41-21+,42-22+,43-25+,44-26+,45-29+,46-30+/t47-,48-/m0/s1

SMILES

CC(C)=CC[C@@H](/C=C/C(C)=C/C=C/C(C)=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](CC=C(C)C)C(C)(C)O)C(C)(C)O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:87121 chebi:87121	bisanhydrobacterioruberin (3S,4E,6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E,28E,30S)-2,6,10,14,19,23,27,31-octamethyl-3,30-bis(3-methylbut-2-en-1-yl)dotriaconta-4,6,8,10,12,14,16,18,20,22,24,26,28-tridecaene-2,31-diol
seed.compound:cpd35735 seedM:cpd35735	2,2'-bis-(3-methylbut-2-enyl)-3,4,3',4'-tetradehydro-1,2,1',2'-tetrahydro-psi,psi-carotene-1,1-diol C.p.496 bisanhydrobacterioruberin
kegg.compound:C22347 keggC:C22347	Bisanhydrobacterioruberin 2,2'-Bis(3-methylbut-2-enyl)-3,4,3',4'-tetradehydro-1,2,1',2'-tetrahydro-psi,psi-carotene-1,1'-diol
metacyc.compound:CPD-18008 metacycM:CPD-18008	bisanhydrobacterioruberin 2,2'-bis-(3-methylbut-2-enyl)-3,4,3',4'-tetradehydro-1,2,1',2'-tetrahydro-psi,psi-carotene-1,1-diol C.p.496
keggC:M_C22347 seedM:M_cpd35735	secondary/obsolete/fantasy identifier