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CHEBI:211186 - (1R,2S,4R,5R,8R,9S,11S)-2-[[(2R,3S,4S,5R,6R)-4-acetyloxy-3-hydroxy-5-methoxy-6-methyloxan-2-yl]oxymethyl]-9-ormyl-5-methyl-13-propan-2-yltetracyclo[7.4.0.02,11.04,8]tridec-12-ene-1-carboxylic acid

ChEBI IDCHEBI:211186
ChEBI Name(1R,2S,4R,5R,8R,9S,11S)-2-[[(2R,3S,4S,5R,6R)-4-acetyloxy-3-hydroxy-5-methoxy-6-methyloxan-2-yl]oxymethyl]-9-ormyl-5-methyl-13-propan-2-yltetracyclo[7.4.0.02,11.04,8]tridec-12-ene-1-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H42O9
Net Charge0
Average Mass534.646
Monoisotopic Mass534.28288
SMILESCO[C@H]1[C@@H](OC(C)=O)[C@H](O)[C@H](OC[C@@]23C[C@@H]4[C@H](C)CC[C@H]4[C@@]4(C=O)C[C@H]2C=C(C(C)C)[C@@]34C(=O)O)O[C@@H]1C
InChIInChI=1S/C29H42O9/c1-14(2)21-9-18-10-27(12-30)20-8-7-15(3)19(20)11-28(18,29(21,27)26(33)34)13-36-25-22(32)24(38-17(5)31)23(35-6)16(4)37-25/h9,12,14-16,18-20,22-25,32H,7-8,10-11,13H2,1-6H3,(H,33,34)/t15-,16-,18-,19-,20-,22+,23-,24+,25-,27+,28+,29+/m1/s1
InChIKeyMVOVIJYDNSXPKJ-MNNKEBTNSA-N
Species of MetaboliteComponentSourceComments
Graphium (ncbitaxon:76204) - PubMed (9918394)
ChEBI Ontology
Outgoing Relation(s)
(1R,2S,4R,5R,8R,9S,11S)-2-[[(2R,3S,4S,5R,6R)-4-acetyloxy-3-hydroxy-5-methoxy-6-methyloxan-2-yl]oxymethyl]-9-ormyl-5-methyl-13-propan-2-yltetracyclo[7.4.0.02,11.04,8]tridec-12-ene-1-carboxylic acid (CHEBI:211186) is a terpene glycoside (CHEBI:61777)
IUPAC Name 
(1R,2S,4R,5R,8R,9S,11S)-2-[[(2R,3S,4S,5R,6R)-4-acetyloxy-3-hydroxy-5-methoxy-6-methyloxan-2-yl]oxymethyl]-9-ormyl-5-methyl-13-propan-2-yltetracyclo[7.4.0.02,11.04,8]tridec-12-ene-1-carboxylic acid
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