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Blumealactone B

PropertiesImage
MNX_IDMNXM119849 Image of MNXM119849
referencechebi:175670
formulaC20H28O6
global charge0
mol weight364.438
InChIKeyUMHQHFHQQZZQGN-UHFFFAOYSA-N
InChIInChI=1S/C20H28O6/c1-10(2)9-13(21)24-17-14-12(4)19(23)25-16(14)15(22)11(3)7-6-8-20(5)18(17)26-20/h9,11,14-18,22H,4,6-8H2,1-3,5H3
SMILESC=C1C(=O)OC2C(O)C(C)CCCC3(C)OC3C(OC(=O)C=C(C)C)C12
MNX internals
InChI (mnx)InChI=1/C20H28O6/c1-10(2)9-13(21)24-17-14-12(4)19(23)25-16(14)15(22)11(3)7-6-8-20(5)18(17)26-20/h9,11,14-18,22H,4,6-8H2,1-3,5H3/t11?,14?,15?,16?,17?,18?,20? Image of MNXM119849
SMILES (mnx)[CH3:1][C:10]([CH3:2])=[CH:9][C:13](=[O:21])[O:24][CH:17]1[CH:14]2[C:12](=[CH2:4])[C:19](=[O:23])[O:25][CH:16]2[CH:15]([OH:22])[CH:11]([CH3:3])[CH2:7][CH2:6][CH2:8][C:20]2([CH3:5])[CH:18]1[O:26]2
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:175670
chebi:175670
UMHQHFHQQZZQGN-UHFFFAOYSA-N 		Blumealactone B
(10-hydroxy-5,9-dimethyl-14-methylidene-13-oxo-4,12-dioxatricyclo[9.3.0.03,5]tetradecan-2-yl) 3-methylbut-2-enoate
hmdb:HMDB0036666
UMHQHFHQQZZQGN-UHFFFAOYSA-N 		Blumealactone B
(-)-Blumealactone b
10-Hydroxy-5,9-dimethyl-14-methylidene-13-oxo-4,12-dioxatricyclo[9.3.0.0³,⁵]tetradecan-2-yl 3-methylbut-2-enoic acid
10-hydroxy-5,9-dimethyl-14-methylidene-13-oxo-4,12-dioxatricyclo[9.3.0.0³,⁵]tetradecan-2-yl 3-methylbut-2-enoate

hmdb:HMDB36666 		secondary/obsolete/fantasy identifier