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LSM-19043

PropertiesImage
MNX_IDMNXM529094 Image of MNXM529094
referencechebi:107664
formulaC20H28O6
global charge0
mol weight364.438
InChIKeyQGVLYPPODPLXMB-ICWWCJFESA-N
InChIInChI=1S/C20H28O6/c1-9-5-13-18(24,15(9)22)7-11(8-21)6-12-14-17(3,4)20(14,26)16(23)10(2)19(12,13)25/h5-6,10,12-14,16,21,23-26H,7-8H2,1-4H3/t10-,12+,13-,14-,16-,18-,19+,20+/m1/s1
SMILESCC1=C[C@H]2[C@]3(O)[C@H](C)[C@@H](O)[C@@]4(O)[C@H]([C@@H]3C=C(CO)C[C@]2(O)C1=O)C4(C)C
MNX internals
InChI (mnx)InChI=1/C20H28O6/c1-9-5-13-18(24,15(9)22)7-11(8-21)6-12-14-17(3,4)20(14,26)16(23)10(2)19(12,13)25/h5-6,10,12-14,16,21,23-26H,7-8H2,1-4H3/t10-,12+,13-,14-,16-,18-,19+,20+/m1/s1 Image of MNXM529094
SMILES (mnx)[CH3:1][C:9]1=[CH:5][C@@H:13]2[C@:18]([OH:24])([CH2:7][C:11]([CH2:8][OH:21])=[CH:6][C@H:12]3[C@@H:14]4[C:17]([CH3:3])([CH3:4])[C@@:20]4([OH:26])[C@H:16]([OH:23])[C@@H:10]([CH3:2])[C@:19]32[OH:25])[C:15]1=[O:22]
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:107664
chebi:107664
QGVLYPPODPLXMB-ICWWCJFESA-N 		LSM-19043