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Cynaratriol

PropertiesImage
MNX_IDMNXM124134 Image of MNXM124134
referencechebi:156174
formulaC15H22O5
global charge0
mol weight282.336
InChIKeyOHBHGGYGWZIWCX-UOHBJPFUSA-N
InChIInChI=1S/C15H22O5/c1-7-3-4-10-13(20-14(18)15(10,19)6-16)12-8(2)11(17)5-9(7)12/h8-13,16-17,19H,1,3-6H2,2H3/t8-,9+,10-,11+,12+,13+,15+/m1/s1
SMILESC=C1CC[C@@H]2[C@H](OC(=O)[C@]2(O)CO)[C@H]2[C@H](C)[C@@H](O)C[C@@H]12
MNX internals
InChI (mnx)InChI=1/C15H22O5/c1-7-3-4-10-13(20-14(18)15(10,19)6-16)12-8(2)11(17)5-9(7)12/h8-13,16-17,19H,1,3-6H2,2H3/t8-,9+,10-,11+,12+,13+,15+/m1/s1 Image of MNXM124134
SMILES (mnx)[CH2:1]=[C:7]1[CH2:3][CH2:4][C@@H:10]2[C@@H:13]([C@H:12]3[C@H:8]([CH3:2])[C@@H:11]([OH:17])[CH2:5][C@@H:9]13)[O:20][C:14](=[O:18])[C@@:15]2([CH2:6][OH:16])[OH:19]
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:156174
chebi:156174
OHBHGGYGWZIWCX-UOHBJPFUSA-N 		Cynaratriol
(3R,3aR,6aR,8S,9S,9aR,9bR)-3,8-dihydroxy-3-(hydroxymethyl)-9-methyl-6-methylidene-4,5,6a,7,8,9,9a,9b-octahydro-3aH-azuleno[4,5-b]uran-2-one
hmdb:HMDB0034983
OHBHGGYGWZIWCX-UHFFFAOYSA-N 		Cynaratriol
3,11,13-Trihydroxy-10(14)-guaien-12,6-olide
3,8-dihydroxy-3-(hydroxymethyl)-9-methyl-6-methylidene-dodecahydroazuleno[4,5-b]furan-2-one
3,8-dihydroxy-3-(hydroxymethyl)-9-methyl-6-methylidene-octahydro-3aH-azuleno[4,5-b]furan-2-one
Tipropidil

hmdb:HMDB34983 		secondary/obsolete/fantasy identifier