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Glycinoeclepin C

PropertiesImageOccurences in reactions
MNX_IDMNXM126229Image of MNXM126229
#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
formulaC29H38O8
charge0
mass514.25667
referencehmdb:HMDB0037036
InChIKeyQEICCHKVLICFMW-ZTXCTZRESA-N
InChIInChI=1S/C29H38O8/c1-14(23(31)32)9-17-10-15(2)27(5)21(36-17)12-18-22(24(33)34)16(11-19(30)28(18,27)6)13-29-8-7-20(37-29)26(3,4)25(29)35/h9,12,15,17,19-21,30H,7-8,10-11,13H2,1-6H3,(H,31,32)(H,33,34)/b14-9+/t15-,17-,19-,20+,21?,27-,28+,29+/m1/s1
SMILESC/C(=C\[C@@H]1C[C@@H](C)[C@]2(C)C(C=C3C(C(=O)O)=C(C[C@]45CC[C@H](O4)C(C)(C)C5=O)C[C@@H](O)[C@]32C)O1)C(=O)O
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Similar chemical compounds in external resources
IdentifierDescription
hmdb:HMDB0037036 Glycinoeclepin C
(2S,4R,4AS,4BR,5R)-2-[(1E)-2-carboxy-2-methyleth-1-en-1-yl]-7-{[(1S,4S)-3,3-dimethyl-2-oxo-7-oxabicyclo[2.2.1]heptan-1-yl]methyl}-5-hydroxy-4,4a,4b-trimethyl-2H,3H,4H,4ah,4BH,5H,6H,9ah-indeno[2,1-b]pyran-8-carboxylate
(2S,4R,4aS,4bR,5R)-2-[(1E)-2-carboxy-2-methyleth-1-en-1-yl]-7-{[(1S,4S)-3,3-dimethyl-2-oxo-7-oxabicyclo[2.2.1]heptan-1-yl]methyl}-5-hydroxy-4,4a,4b-trimethyl-2H,3H,4H,4aH,4bH,5H,6H,9aH-indeno[2,1-b]pyran-8-carboxylic acid
(2S,4R,4aS,4bR,5R)-2-[(1E)-2-carboxy-2-methyleth-1-en-1-yl]-7-{[(1S,4S)-3,3-dimethyl-2-oxo-7-oxabicyclo[2.2.1]heptan-1-yl]methyl}-5-hydroxy-4,4a,4b-trimethyl-2H,3H,4H,5H,6H,9aH-indeno[2,1-b]pyran-8-carboxylic acid
hmdb:HMDB37036 secondary/obsolete/fantasy identifier