Search MNXref
 Feedback

Melleolide C

PropertiesImage
MNX_IDMNXM127778 Image of MNXM127778
referencechebi:175591
formulaC24H32O8
global charge0
mol weight448.512
InChIKeyXXMVVKDVYBWXPQ-QSNWBFGMSA-N
InChIInChI=1S/C24H32O8/c1-12-6-14(31-5)7-15(26)17(12)20(28)32-16-9-22(4)18-19(27)21(2,3)11-23(18,29)8-13(10-25)24(16,22)30/h6-8,16,18-19,25-27,29-30H,9-11H2,1-5H3/t16-,18-,19-,22-,23+,24+/m1/s1
SMILESCOC1=CC(C)=C(C(=O)O[C@@H]2C[C@]3(C)[C@H]4[C@@H](O)C(C)(C)C[C@@]4(O)C=C(CO)[C@]23O)C(O)=C1
MNX internals
InChI (mnx)InChI=1/C24H32O8/c1-12-6-14(31-5)7-15(26)17(12)20(28)32-16-9-22(4)18-19(27)21(2,3)11-23(18,29)8-13(10-25)24(16,22)30/h6-8,16,18-19,25-27,29-30H,9-11H2,1-5H3/t16-,18-,19-,22-,23+,24+/m1/s1 Image of MNXM127778
SMILES (mnx)[CH3:1][C:12]1=[CH:6][C:14]([O:31][CH3:5])=[CH:7][C:15]([OH:26])=[C:17]1[C:20](=[O:28])[O:32][C@@H:16]1[CH2:9][C@:22]2([CH3:4])[C@H:18]3[C@@H:19]([OH:27])[C:21]([CH3:2])([CH3:3])[CH2:11][C@@:23]3([OH:29])[CH:8]=[C:13]([CH2:10][OH:25])[C@:24]12[OH:30]
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:175591
chebi:175591
XXMVVKDVYBWXPQ-QSNWBFGMSA-N 		Melleolide C
[(2R,2aS,4aR,7R,7aS,7bR)-2a,4a,7-trihydroxy-3-(hydroxymethyl)-6,6,7b-trimethyl-2,5,7,7a-tetrahydro-1H-cyclobuta[e]inden-2-yl] 2-hydroxy-4-methoxy-6-methylbenzoate
hmdb:HMDB0037041
XXMVVKDVYBWXPQ-UHFFFAOYSA-N 		Melleolide C
2a,4a,7-Trihydroxy-3-(hydroxymethyl)-6,6,7b-trimethyl-1H,2H,2ah,4ah,5H,6H,7H,7ah,7BH-cyclobuta[e]inden-2-yl 2-hydroxy-4-methoxy-6-methylbenzoic acid
2a,4a,7-trihydroxy-3-(hydroxymethyl)-6,6,7b-trimethyl-1H,2H,2aH,4aH,5H,6H,7H,7aH,7bH-cyclobuta[e]inden-2-yl 2-hydroxy-4-methoxy-6-methylbenzoate
2a,4a,7-trihydroxy-3-(hydroxymethyl)-6,6,7b-trimethyl-1H,2H,5H,7H,7aH-cyclobuta[e]inden-2-yl 2-hydroxy-4-methoxy-6-methylbenzoate

metacyc.compound:CPD-20195
metacycM:CPD-20195
seed.compound:cpd35249
seedM:cpd35249
XXMVVKDVYBWXPQ-QSNWBFGMSA-N 		melleolide C

hmdb:HMDB37041
seedM:M_cpd35249 		secondary/obsolete/fantasy identifier