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CHEBI:206720 - Chrodrimanin S

ChEBI IDCHEBI:206720
ChEBI NameChrodrimanin S
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SubmitterMetaboLights
DownloadsMolfile
FormulaC26H32O7
Net Charge0
Average Mass456.535
Monoisotopic Mass456.21480
SMILESCO[C@@H]1c2c3c(cc(O)c2C(=O)O[C@@H]1C)O[C@@]1(C)[C@@H](O)C[C@H]2C(C)(C)C(=O)C=C[C@]2(C)[C@@H]1C3
InChIInChI=1S/C26H32O7/c1-12-22(31-6)20-13-9-17-25(4)8-7-18(28)24(2,3)16(25)11-19(29)26(17,5)33-15(13)10-14(27)21(20)23(30)32-12/h7-8,10,12,16-17,19,22,27,29H,9,11H2,1-6H3/t12-,16+,17+,19+,22+,25+,26-/m1/s1
InChIKeyNGKDELKJNZLSFY-WQVXKCIISA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (28807715)
ChEBI Ontology
Outgoing Relation(s)
Chrodrimanin S (CHEBI:206720) is a diterpene lactone (CHEBI:49193)
IUPAC Name 
(1S,5R,6R,14R,15S,17R,22S)-10,15-dihydroxy-5-methoxy-6,14,18,18,22-pentamethyl-7,13-dioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-3(12),4(9),10,20-tetraene-8,19-dione
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62429270ChemSpider