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CHEBI:218054 - GR135402

ChEBI IDCHEBI:218054
ChEBI NameGR135402
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SubmitterMetaboLights
DownloadsMolfile
FormulaC34H48O9
Net Charge0
Average Mass600.749
Monoisotopic Mass600.32983
SMILESC/C=C/C=C(/C)C(=O)O[C@H]1[C@H](O)[C@H](OCC23C[C@@H]4[C@H](C)CC[C@H]4[C@@]4(C=O)CC2C=C(C(C)C)C34C(=O)O)O[C@H](C)[C@H]1OC
InChIInChI=1S/C34H48O9/c1-8-9-10-20(5)29(37)43-28-26(36)30(42-21(6)27(28)40-7)41-17-33-15-23-19(4)11-12-24(23)32(16-35)14-22(33)13-25(18(2)3)34(32,33)31(38)39/h8-10,13,16,18-19,21-24,26-28,30,36H,11-12,14-15,17H2,1-7H3,(H,38,39)/b9-8+,20-10-/t19-,21-,22?,23-,24-,26+,27-,28+,30-,32+,33?,34?/m1/s1
InChIKeyYJGMLBISALRTRW-XSIZSHLISA-N
Species of MetaboliteComponentSourceComments
Parascedosporium putredinis (ncbitaxon:1442378) - PubMed (9531986)
ChEBI Ontology
Outgoing Relation(s)
GR135402 (CHEBI:218054) is a terpene glycoside (CHEBI:61777)
IUPAC Name 
(4R,5R,8R,9S)-9-ormyl-2-[[(2R,3S,4S,5R,6R)-3-hydroxy-5-methoxy-6-methyl-4-[(2Z,4E)-2-methylhexa-2,4-dienoyl]oxyoxan-2-yl]oxymethyl]-5-methyl-13-propan-2-yltetracyclo[7.4.0.02,11.04,8]tridec-12-ene-1-carboxylic acid
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78445000ChemSpider