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CHEBI:222904 - Miophytocen D

ChEBI IDCHEBI:222904
ChEBI NameMiophytocen D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H40O9
Net Charge0
Average Mass532.630
Monoisotopic Mass532.26723
SMILESC/C1=C\C(=O)OC[C@@]23CC[C@](C)(O)[C@H]4C[C@]5(O)[C@@H](C[C@@H](OC(=O)/C=C\C=C\[C@H]([C@@H](C)O)OCC1)[C@]25C)O[C@H]43
InChIInChI=1S/C29H40O9/c1-17-9-12-35-20(18(2)30)7-5-6-8-23(31)37-21-14-22-29(34)15-19-25(38-22)28(27(21,29)4,11-10-26(19,3)33)16-36-24(32)13-17/h5-8,13,18-22,25,30,33-34H,9-12,14-16H2,1-4H3/b7-5+,8-6-,17-13+/t18-,19+,20-,21-,22-,25-,26+,27-,28-,29+/m1/s1
InChIKeyUOCCUNQTUJJNLV-ZYPGXLDSSA-N
Species of MetaboliteComponentSourceComments
Trichoderma cornu-damae (ncbitaxon:654480) - PubMed (30457333)
ChEBI Ontology
Outgoing Relation(s)
Miophytocen D (CHEBI:222904) is a oxacycle (CHEBI:38104)
IUPAC Name 
(1R,2S,3R,6Z,8E,10R,14E,19R,22S,23S,24R,26R)-1,22-dihydroxy-10-[(1R)-1-hydroxyethyl]-2,14,22-trimethyl-4,11,17,25-tetraoxapentacyclo[21.3.1.13,26.02,19.019,24]octacosa-6,8,14-triene-5,16-dione