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Hippulin

PropertiesImage
MNX_IDMNXM1559330 Image of MNXM1559330
referencelipidmapsM:LMST02010059
formulaC18H20O2
global charge0
mol weight268.356
InChIKeyOUGSRCWSHMWPQE-WMZOPIPTSA-N
InChIInChI=1S/C18H20O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,16,19H,2,4,6-9H2,1H3/t16-,18-/m0/s1
SMILESC[C@]12CCC3=C(CCC4=C3C=CC(O)=C4)[C@@H]1CCC2=O
MNX internals
InChI (mnx)InChI=1/C18H20O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,16,19H,2,4,6-9H2,1H3/t16-,18-/m0/s1 Image of MNXM1559330
SMILES (mnx)[CH3:1][C@:18]12[CH2:9][CH2:8][C:14]3=[C:15]([CH2:4][CH2:2][C:11]4=[CH:10][C:12]([OH:19])=[CH:3][CH:5]=[C:13]43)[C@@H:16]1[CH2:6][CH2:7][C:17]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

lipidmaps:LMST02010059
lipidmapsM:LMST02010059
OUGSRCWSHMWPQE-WMZOPIPTSA-N 		Hippulin
14-isoestra-1,3,5(10),8-tetraen-3-ol-17-one
3-hydroxy-estra-1,3,5(10),8-tetraen-17-one
8,9-Dehydroestrone
O2
ST 18:5