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renierapurpurin

PropertiesImage
MNX_IDMNXM12879 Image of MNXM12879
referencemetacycM:CPD-11457
formulaC40H48
global charge0
mol weight528.824
InChIKeyUKQDELXQDGFRFW-RIRRTMASSA-N
InChIInChI=1S/C40H48/c1-29(17-13-19-31(3)21-25-39-27-23-33(5)35(7)37(39)9)15-11-12-16-30(2)18-14-20-32(4)22-26-40-28-24-34(6)36(8)38(40)10/h11-28H,1-10H3/b12-11+,17-13+,18-14+,25-21+,26-22+,29-15+,30-16+,31-19+,32-20+
SMILESCC1=CC=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(C)=C(C)C=C2)C(C)=C1C
MNX internals
InChI (mnx)InChI=1/C40H48/c1-29(17-13-19-31(3)21-25-39-27-23-33(5)35(7)37(39)9)15-11-12-16-30(2)18-14-20-32(4)22-26-40-28-24-34(6)36(8)38(40)10/h11-28H,1-10H3/b12-11+,17-13+,18-14+,25-21+,26-22+,29-15+,30-16+,31-19+,32-20+ Image of MNXM12879
SMILES (mnx)[CH3:1][C:29](=[CH:15]\[CH:11]=[CH:12]\[CH:16]=[C:30]([CH3:2])\[CH:18]=[CH:14]\[CH:20]=[C:32]([CH3:4])\[CH:22]=[CH:26]\[C:40]1=[C:38]([CH3:10])[C:36]([CH3:8])=[C:34]([CH3:6])[CH:24]=[CH:28]1)/[CH:17]=[CH:13]/[CH:19]=[C:31]([CH3:3])/[CH:21]=[CH:25]/[C:39]1=[C:37]([CH3:9])[C:35]([CH3:7])=[C:33]([CH3:5])[CH:23]=[CH:27]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)4
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

metacyc.compound:CPD-11457
metacycM:CPD-11457
UKQDELXQDGFRFW-RIRRTMASSA-N
renierapurpurin
chi,chi-carotene

lipidmaps:LMPR01071047
lipidmapsM:LMPR01071047
UKQDELXQDGFRFW-RIRRTMASSA-N
Renierapurpurin
chi,chi-Carotene

seed.compound:cpd22956
seedM:cpd22956
UKQDELXQDGFRFW-RIRRTMASSA-N
chi,chi-carotene
renierapurpurin

seedM:M_cpd22956
secondary/obsolete/fantasy identifier