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LSM-36622

PropertiesImage
MNX_IDMNXM116170 Image of MNXM116170
referencechebi:125157
formulaC23H34O11
global charge0
mol weight486.514
InChIKeyHUIYHYRPRGTYKA-ONSSSSONSA-N
InChIInChI=1S/C23H34O11/c1-10-4-5-22(8-30-11(2)25)13(6-10)33-19-17(29)18(21(22,3)23(19)9-31-23)34-20-16(28)15(27)14(26)12(7-24)32-20/h6,12-20,24,26-29H,4-5,7-9H2,1-3H3/t12-,13?,14-,15+,16-,17-,18-,19-,20-,21-,22-,23?/m1/s1
SMILESCC(=O)OC[C@]12CCC(C)=CC1O[C@@H]1[C@H](O)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@]2(C)C12CO2
MNX internals
InChI (mnx)InChI=1/C23H34O11/c1-10-4-5-22(8-30-11(2)25)13(6-10)33-19-17(29)18(21(22,3)23(19)9-31-23)34-20-16(28)15(27)14(26)12(7-24)32-20/h6,12-20,24,26-29H,4-5,7-9H2,1-3H3/t12-,13?,14-,15+,16-,17-,18-,19-,20-,21-,22-,23?/m1/s1 Image of MNXM116170
SMILES (mnx)[CH3:1][C:10]1=[CH:6][CH:13]2[C@:22]([CH2:8][O:30][C:11]([CH3:2])=[O:25])([CH2:5][CH2:4]1)[C@@:21]1([CH3:3])[C@H:18]([O:34][C@@H:20]3[C@H:16]([OH:28])[C@@H:15]([OH:27])[C@H:14]([OH:26])[C@@H:12]([CH2:7][OH:24])[O:32]3)[C@@H:17]([OH:29])[C@H:19]([C:23]13[CH2:9][O:31]3)[O:33]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:125157
chebi:125157
HUIYHYRPRGTYKA-ONSSSSONSA-N 		LSM-36622
hmdb:HMDB0035590
HUIYHYRPRGTYKA-UHFFFAOYSA-N 		15-Acetoxyscirpene-3,4-diol 4-O-a-D-glucopyranoside
(10'-Hydroxy-1',5'-dimethyl-11'-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-8'-oxaspiro[oxirane-2,12'-tricyclo[7.2.1.0²,⁷]dodecan]-5'-en-2'-yl)methyl acetic acid
10'-hydroxy-1',5'-dimethyl-11'-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-8'-oxaspiro[oxirane-2,12'-tricyclo[7.2.1.0²,⁷]dodecan]-5'-en-2'-ylmethyl acetate

CHEBI:169090
chebi:169090
HUIYHYRPRGTYKA-UHFFFAOYSA-N 		15-Acetoxyscirpene-3,4-diol 4-O-a-D-glucopyranoside
[10-hydroxy-1,5-dimethyl-11-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl]methyl acetate

hmdb:HMDB35590 		secondary/obsolete/fantasy identifier