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Cumanin

PropertiesImage
MNX_IDMNXM1129388 Image of MNXM1129388
referencechebi:173423
formulaC15H22O4
global charge0
mol weight266.337
InChIKeyZFCRHGITKWEXDY-RKKSEIHCSA-N
InChIInChI=1S/C15H22O4/c1-7-4-12-9(8(2)14(18)19-12)6-15(3)10(7)5-11(16)13(15)17/h7,9-13,16-17H,2,4-6H2,1,3H3/t7-,9?,10?,11-,12?,13-,15-/m0/s1
SMILESC=C1C(=O)OC2C[C@H](C)C3C[C@H](O)[C@H](O)[C@@]3(C)CC12
MNX internals
InChI (mnx)InChI=1/C15H22O4/c1-7-4-12-9(8(2)14(18)19-12)6-15(3)10(7)5-11(16)13(15)17/h7,9-13,16-17H,2,4-6H2,1,3H3/t7-,9?,10?,11-,12?,13-,15-/m0/s1 Image of MNXM1129388
SMILES (mnx)[CH3:1][C@H:7]1[CH2:4][CH:12]2[CH:9]([CH2:6][C@@:15]3([CH3:3])[CH:10]1[CH2:5][C@H:11]([OH:16])[C@@H:13]3[OH:17])[C:8](=[CH2:2])[C:14](=[O:18])[O:19]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:173423
chebi:173423
ZFCRHGITKWEXDY-RKKSEIHCSA-N 		Cumanin
(5S,7S,8R,8aS)-7,8-dihydroxy-5,8a-dimethyl-1-methylidene-4,5,5a,6,7,8,9,9a-octahydro-3aH-azuleno[6,5-b]uran-2-one