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CHEBI:218580 - Rogerson B

ChEBI IDCHEBI:218580
ChEBI NameRogerson B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC36H62O10
Net Charge0
Average Mass654.882
Monoisotopic Mass654.43430
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)O
InChIInChI=1S/C36H62O10/c1-12-19(2)13-20(3)14-25(8)33(46-36-32(41)31(40)34(44-11)28(18-37)45-36)26(9)16-23(6)29(38)21(4)15-22(5)30(39)24(7)17-27(10)35(42)43/h14-17,19-21,24,26,28-34,36-41H,12-13,18H2,1-11H3,(H,42,43)/t19-,20-,21-,24-,26-,28+,29-,30+,31-,32-,33+,34+,36-/m0/s1
InChIKeyHFPOGONGEYLMHO-JUIXKZNKSA-N
Species of MetaboliteComponentSourceComments
Clonostachys (ncbitaxon:110564) - PubMed (28397534)
ChEBI Ontology
Outgoing Relation(s)
Rogerson B (CHEBI:218580) is a sesterterpenoid (CHEBI:26660)
IUPAC Name 
(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-tetraenoic acid
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78441831ChemSpider