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bisanhydrobacterioruberin

PropertiesImage
MNX_IDMNXM147440 Image of MNXM147440
referencechebi:87121
formulaC50H72O2
global charge0
mol weight705.124
InChIKeyYSNDIOZFQNZVGY-SOGLEDDYSA-N
InChIInChI=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
SMILESCC(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
MNX internals
InChI (mnx)InChI=1/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 Image of MNXM147440
SMILES (mnx)[CH3:1][C:39]([CH3:2])=[CH:31][CH2:35][C@@H:47](/[CH:37]=[CH:33]/[C:45]([CH3:9])=[CH:29]/[CH:19]=[CH:27]/[C:43]([CH3:7])=[CH:25]/[CH:17]=[CH:23]/[C:41]([CH3:5])=[CH:21]/[CH:15]=[CH:16]/[CH:22]=[C:42]([CH3:6])/[CH:24]=[CH:18]/[CH:26]=[C:44]([CH3:8])/[CH:28]=[CH:20]/[CH:30]=[C:46]([CH3:10])/[CH:34]=[CH:38]/[C@H:48]([CH2:36][CH:32]=[C:40]([CH3:3])[CH3:4])[C:50]([CH3:13])([CH3:14])[OH:52])[C:49]([CH3:11])([CH3:12])[OH:51]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)6
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:87121
chebi:87121
YSNDIOZFQNZVGY-SOGLEDDYSA-N 		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
YSNDIOZFQNZVGY-SOGLEDDYSA-N 		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

lipidmaps:LMPR01080025
lipidmapsM:LMPR01080025
YSNDIOZFQNZVGY-SOGLEDDYSA-N 		Bisanhydrobacterioruberin
(2S,2'S)-2,2'-Bis-(3-methylbut-2-enyl)-3,4,3',4'-tetradehydro-1,2,1',2'-tetrahydro-psi,psi-carotene-1,1'-diol

kegg.compound:C22347
keggC:C22347
YSNDIOZFQNZVGY-SOGLEDDYSA-N 		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
YSNDIOZFQNZVGY-SOGLEDDYSA-N 		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