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(-)-microdiplodiasolol

PropertiesImage
MNX_IDMNXM106674 Image of MNXM106674
referencechebi:68285
formulaC16H16O7
global charge0
mol weight320.297
InChIKeySIUXYUWNLUKHJD-FVQBIDKESA-N
InChIInChI=1S/C16H16O7/c1-7-4-8(17)12-10(5-7)23-15(2)11(22-3)6-9(18)13(19)16(15,21)14(12)20/h4-6,13,17,19,21H,1-3H3/t13-,15-,16-/m1/s1
SMILESCOC1=CC(=O)[C@@H](O)[C@@]2(O)C(=O)C3=C(O)C=C(C)C=C3O[C@]12C
MNX internals
InChI (mnx)InChI=1/C16H16O7/c1-7-4-8(17)12-10(5-7)23-15(2)11(22-3)6-9(18)13(19)16(15,21)14(12)20/h4-6,13,17,19,21H,1-3H3/t13-,15-,16-/m1/s1 Image of MNXM106674
SMILES (mnx)[CH3:1][C:7]1=[CH:4][C:8]([OH:17])=[C:12]2[C:10](=[CH:5]1)[O:23][C@:15]1([CH3:2])[C:11]([O:22][CH3:3])=[CH:6][C:9](=[O:18])[C@@H:13]([OH:19])[C@@:16]1([OH:21])[C:14]2=[O:20]
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:68285
chebi:68285
SIUXYUWNLUKHJD-FVQBIDKESA-N
(-)-microdiplodiasolol
(1S,4aS,9aS)-1,8,9a-trihydroxy-4-methoxy-4a,6-dimethyl-4a,9a-dihydro-1H-xanthene-2,9-dione