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CHEBI:218573 - Rogerson A

ChEBI IDCHEBI:218573
ChEBI NameRogerson A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC37H64O10
Net Charge0
Average Mass668.909
Monoisotopic Mass668.44995
SMILESCC[C@H](C)C[C@H](C)C=C(C)[C@@H](O[C@@H]1O[C@H](CO)[C@@H](OC)[C@@H](O)[C@@H]1O)[C@@H](C)C=C(C)[C@@H](O)[C@@H](C)C=C(C)[C@@H](O)[C@@H](C)C=C(C)C(=O)OC
InChIInChI=1S/C37H64O10/c1-13-20(2)14-21(3)15-26(8)34(47-37-33(42)32(41)35(44-11)29(19-38)46-37)27(9)17-24(6)30(39)22(4)16-23(5)31(40)25(7)18-28(10)36(43)45-12/h15-18,20-22,25,27,29-35,37-42H,13-14,19H2,1-12H3/t20-,21-,22-,25-,27-,29+,30-,31+,32-,33-,34+,35+,37-/m0/s1
InChIKeyGSXYSLJWTWFGBZ-RXYKDVPXSA-N
Species of MetaboliteComponentSourceComments
Clonostachys (ncbitaxon:110564) - PubMed (28397534)
ChEBI Ontology
Outgoing Relation(s)
Rogerson A (CHEBI:218573) is a sesterterpenoid (CHEBI:26660)
IUPAC Name 
methyl (4S,5S,8S,9S,12S,13S,16S,18S)-13-[(2R,3S,4S,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-5,9-dihydroxy-2,4,6,8,10,12,14,16,18-nonamethylicosa-2,6,10,14-tetraenoate
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78441830ChemSpider