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CHEBI:199036 - Gephyronic acid

ChEBI IDCHEBI:199036
ChEBI NameGephyronic acid
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SubmitterMetaboLights
DownloadsMolfile
FormulaC26H46O7
Net Charge0
Average Mass470.647
Monoisotopic Mass470.32435
SMILESCO[C@@H]([C@H](C)[C@@H](O)CC(=O)O)C(C)(C)C(=O)[C@@H](C)C[C@H](C)[C@H](O)[C@@]1(C)O[C@@H]1[C@@H](C)C=C(C)C
InChIInChI=1S/C26H46O7/c1-14(2)11-17(5)23-26(9,33-23)22(31)16(4)12-15(3)21(30)25(7,8)24(32-10)18(6)19(27)13-20(28)29/h11,15-19,22-24,27,31H,12-13H2,1-10H3,(H,28,29)/t15-,16-,17-,18+,19-,22-,23+,24-,26+/m0/s1
InChIKeyQQRFTCUQLLWQEO-AVPWRDOMSA-N
Species of MetaboliteComponentSourceComments
Archangium (ncbitaxon:47) - PubMed (21246696)
ChEBI Ontology
Outgoing Relation(s)
Gephyronic acid (CHEBI:199036) is a diterpenoid (CHEBI:23849)
IUPAC Name 
(3S,4R,5S,8S,10S,11S)-3,11-dihydroxy-5-methoxy-4,6,6,8,10-pentamethyl-11-[(2R,3R)-2-methyl-3-[(2S)-4-methylpent-3-en-2-yl]oxiran-2-yl]-7-oxoundecanoic acid
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