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7,8-Dehydroastaxanthianthin

PropertiesImage
MNX_IDMNXM39040 Image of MNXM39040
referencechebi:172765
formulaC40H50O4
global charge0
mol weight594.836
InChIKeyBZQRJBLJDFPOBX-FOERLQQGSA-N
InChIInChI=1S/C40H50O4/c1-27(17-13-19-29(3)21-23-33-31(5)37(43)35(41)25-39(33,7)8)15-11-12-16-28(2)18-14-20-30(4)22-24-34-32(6)38(44)36(42)26-40(34,9)10/h11-21,23,35-36,41-42H,25-26H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,27-15-,28-16+,29-19+,30-20-
SMILESCC1=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(O)CC2(C)C)C(C)(C)CC(O)C1=O
MNX internals
InChI (mnx)InChI=1/C40H50O4/c1-27(17-13-19-29(3)21-23-33-31(5)37(43)35(41)25-39(33,7)8)15-11-12-16-28(2)18-14-20-30(4)22-24-34-32(6)38(44)36(42)26-40(34,9)10/h11-21,23,35-36,41-42H,25-26H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,27-15-,28-16+,29-19+,30-20-/t35?,36? Image of MNXM39040
SMILES (mnx)[CH3:1][C:27](=[CH:15]/[CH:11]=[CH:12]/[CH:16]=[C:28]([CH3:2])/[CH:18]=[CH:14]/[CH:20]=[C:30](/[CH3:4])[C:22]#[C:24][C:34]1=[C:32]([CH3:6])[C:38](=[O:44])[CH:36]([OH:42])[CH2:26][C:40]1([CH3:9])[CH3:10])/[CH:17]=[CH:13]/[CH:19]=[C:29]([CH3:3])/[CH:21]=[CH:23]/[C:33]1=[C:31]([CH3:5])[C:37](=[O:43])[CH:35]([OH:41])[CH2:25][C:39]1([CH3:7])[CH3:8]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:172765
chebi:172765
BZQRJBLJDFPOBX-FOERLQQGSA-N 		7,8-Dehydroastaxanthianthin
6-hydroxy-3-[(1E,3E,5E,7Z,9E,11E,13E,15Z)-18-(4-hydroxy-2,6,6-trimethyl-3-oxocyclohexen-1-yl)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15-octaen-17-ynyl]-2,4,4-trimethylcyclohex-2-en-1-one
hmdb:HMDB0036872
BZQRJBLJDFPOBX-FOERLQQGSA-N 		7,8-Dehydroastaxanthianthin
(3S,3's)-7,8-Didehydroastaxanthin
(3S,3's)-7,8-didehydro-3,3'-Dihydroxy-beta,beta-carotene-4,4'-dione
6-hydroxy-3-[(1E,3E,5E,7Z,9E,11E,13E,15Z)-18-(4-hydroxy-2,6,6-trimethyl-3-oxocyclohex-1-en-1-yl)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15-octaen-17-yn-1-yl]-2,4,4-trimethylcyclohex-2-en-1-one
7,8-Didehydroastaxanthin
7,8-didehydro-3,3'-Dihydroxy-b,b-carotene-4,4'-dione
Asterinic acid

hmdb:HMDB36872 		secondary/obsolete/fantasy identifier