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Heliocide B2

PropertiesImage
MNX_IDMNXM18314 Image of MNXM18314
referencechebi:176063
formulaC26H32O5
global charge0
mol weight424.537
InChIKeyFGQZFAWOAMMXKN-UHFFFAOYSA-N
InChIInChI=1S/C26H32O5/c1-14(2)8-7-9-16-10-11-26(5)18(12-16)23(29)20-17(13-27)22(28)24(31-6)19(15(3)4)21(20)25(26)30/h8,10,13,15,18,28H,7,9,11-12H2,1-6H3
SMILESCOC1=C(C(C)C)C2=C(C(=O)C3CC(CCC=C(C)C)=CCC3(C)C2=O)C(C=O)=C1O
MNX internals
InChI (mnx)InChI=1/C26H32O5/c1-14(2)8-7-9-16-10-11-26(5)18(12-16)23(29)20-17(13-27)22(28)24(31-6)19(15(3)4)21(20)25(26)30/h8,10,13,15,18,28H,7,9,11-12H2,1-6H3/t18?,26? Image of MNXM18314
SMILES (mnx)[CH3:1][C:14]([CH3:2])=[CH:8][CH2:7][CH2:9][C:16]1=[CH:10][CH2:11][C:26]2([CH3:5])[CH:18]([CH2:12]1)[C:23](=[O:29])[C:20]1=[C:17]([CH:13]=[O:27])[C:22]([OH:28])=[C:24]([O:31][CH3:6])[C:19]([CH:15]([CH3:3])[CH3:4])=[C:21]1[C:25]2=[O:30]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:176063
chebi:176063
FGQZFAWOAMMXKN-UHFFFAOYSA-N 		Heliocide B2
2-hydroxy-3-methoxy-10a-methyl-7-(4-methylpent-3-enyl)-9,10-dioxo-4-propan-2-yl-8,8a-dihydro-5H-anthracene-1-carbaldehyde

seed.compound:cpd25816
seedM:cpd25816
FGQZFAWOAMMXKN-UHFFFAOYSA-M 		HB2
heliocide B2
hmdb:HMDB0040747
FGQZFAWOAMMXKN-UHFFFAOYSA-N 		Heliocide B2
2-hydroxy-3-methoxy-10a-methyl-7-(4-methylpent-3-en-1-yl)-9,10-dioxo-4-(propan-2-yl)-5,8,8a,9,10,10a-hexahydroanthracene-1-carbaldehyde
2-hydroxy-4-isopropyl-3-methoxy-10a-methyl-7-(4-methylpent-3-en-1-yl)-9,10-dioxo-8,8a-dihydro-5H-anthracene-1-carbaldehyde

metacyc.compound:CPD-9746
metacycM:CPD-9746
FGQZFAWOAMMXKN-UHFFFAOYSA-M 		heliocide B2

hmdb:HMDB40747
seedM:M_cpd25816 		secondary/obsolete/fantasy identifier