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Heliocide H3

PropertiesImage
MNX_IDMNXM18319 Image of MNXM18319
referencechebi:172650
formulaC25H30O5
global charge0
mol weight410.51
InChIKeyYCZAHJSVHOSXPX-UHFFFAOYSA-N
InChIInChI=1S/C25H30O5/c1-13(2)7-6-8-15-9-10-17-22(28)19-16(12-26)21(27)23(29)18(14(3)4)20(19)24(30)25(17,5)11-15/h7,9,12,14,17,27,29H,6,8,10-11H2,1-5H3
SMILESCC(C)=CCCC1=CCC2C(=O)C3=C(C(=O)C2(C)C1)C(C(C)C)=C(O)C(O)=C3C=O
MNX internals
InChI (mnx)InChI=1/C25H30O5/c1-13(2)7-6-8-15-9-10-17-22(28)19-16(12-26)21(27)23(29)18(14(3)4)20(19)24(30)25(17,5)11-15/h7,9,12,14,17,27,29H,6,8,10-11H2,1-5H3/t17?,25? Image of MNXM18319
SMILES (mnx)[CH3:1][C:13]([CH3:2])=[CH:7][CH2:6][CH2:8][C:15]1=[CH:9][CH2:10][CH:17]2[C:22](=[O:28])[C:19]3=[C:16]([CH:12]=[O:26])[C:21]([OH:27])=[C:23]([OH:29])[C:18]([CH:14]([CH3:3])[CH3:4])=[C:20]3[C:24](=[O:30])[C:25]2([CH3:5])[CH2:11]1
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:172650
chebi:172650
YCZAHJSVHOSXPX-UHFFFAOYSA-N 		Heliocide H3
2,3-dihydroxy-10a-methyl-6-(4-methylpent-3-enyl)-9,10-dioxo-4-propan-2-yl-8,8a-dihydro-5H-anthracene-1-carbaldehyde

seed.compound:cpd25813
seedM:cpd25813
YCZAHJSVHOSXPX-UHFFFAOYSA-M 		HH3
heliocide H3
hmdb:HMDB0030741
YCZAHJSVHOSXPX-UHFFFAOYSA-N 		Heliocide H3
2,3-dihydroxy-10a-methyl-6-(4-methylpent-3-en-1-yl)-9,10-dioxo-4-(propan-2-yl)-5,8,8a,9,10,10a-hexahydroanthracene-1-carbaldehyde
2,3-dihydroxy-4-isopropyl-10a-methyl-6-(4-methylpent-3-en-1-yl)-9,10-dioxo-8,8a-dihydro-5H-anthracene-1-carbaldehyde
5,8,8a,9,10,10a-Hexahydro-2,3-dihydroxy-10a-methyl-4-(1-methylethyl)-6-(4-methyl-3-pentenyl)-9,10-dioxo-1-anthracenecarboxaldehyde, 9ci

metacyc.compound:CPD-9743
metacycM:CPD-9743
YCZAHJSVHOSXPX-UHFFFAOYSA-M 		heliocide H3

hmdb:HMDB30741
seedM:M_cpd25813 		secondary/obsolete/fantasy identifier