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2beta,9xi-Dihydroxy-8-oxo-1(10),4,11(13)-germacratrien-12,6alpha-olide

PropertiesImage
MNX_IDMNXM117122 Image of MNXM117122
referencechebi:168308
formulaC15H18O5
global charge0
mol weight278.304
InChIKeyBPDUDXQLWXZOHB-SFECMWDFSA-N
InChIInChI=1S/C15H18O5/c1-7-4-10(16)6-8(2)13(17)14(18)12-9(3)15(19)20-11(12)5-7/h5-6,10-12,14,16,18H,3-4H2,1-2H3/b7-5-,8-6-
SMILESC=C1C(=O)OC2/C=C(/C)CC(O)/C=C(/C)C(=O)C(O)C12
MNX internals
InChI (mnx)InChI=1/C15H18O5/c1-7-4-10(16)6-8(2)13(17)14(18)12-9(3)15(19)20-11(12)5-7/h5-6,10-12,14,16,18H,3-4H2,1-2H3/b7-5-,8-6-/t10?,11?,12?,14? Image of MNXM117122
SMILES (mnx)[CH3:1]/[C:7]1=[CH:5]/[CH:11]2[CH:12]([C:9](=[CH2:3])[C:15](=[O:19])[O:20]2)[CH:14]([OH:18])[C:13](=[O:17])/[C:8]([CH3:2])=[CH:6]\[CH:10]([OH:16])[CH2:4]1
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:168308
chebi:168308
BPDUDXQLWXZOHB-SFECMWDFSA-N 		2beta,9xi-Dihydroxy-8-oxo-1(10),4,11(13)-germacratrien-12,6alpha-olide
(6Z,10Z)-4,8-dihydroxy-6,10-dimethyl-3-methylidene-4,8,9,11a-tetrahydro-3aH-cyclodeca[b]uran-2,5-dione
hmdb:HMDB0036662
BPDUDXQLWXZOHB-SFECMWDFSA-N 		2beta,9xi-Dihydroxy-8-oxo-1(10),4,11(13)-germacratrien-12,6alpha-olide
2b,9X-Dihydroxy-8-oxo-1(10),4,11(13)-germacratrien-12,6a-olide
2b,9XI-dihydroxy-8-oxo-1(10),4,11(13)-germacratrien-12,6a-olide
2beta,9xi-dihydroxy-8-oxo-1(10),4,11(13)-germacratrien-12,6alpha-olide
4,8-dihydroxy-6,10-dimethyl-3-methylidene-2H,3H,3aH,4H,5H,8H,9H,11aH-cyclodeca[b]furan-2,5-dione
4,8-dihydroxy-6,10-dimethyl-3-methylidene-3aH,4H,8H,9H,11aH-cyclodeca[b]furan-2,5-dione

hmdb:HMDB36662 		secondary/obsolete/fantasy identifier