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CHEBI:207648 - Myrotheside C

Default Structure
ChEBI IDCHEBI:207648
ChEBI NameMyrotheside C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC38H62O9
Net Charge0
Average Mass662.905
Monoisotopic Mass662.43938
SMILESCO[C@H]1[C@H](O)[C@H](O)[C@@H](O[C@@H]2C[C@@H](C(C)C)[C@]3(C)CC[C@@]4(C)[C@H]5C(=CC[C@]4(C)[C@@H]23)[C@@]23CC[C@H](O)C(C)(C)[C@@H]2C[C@@H]5O[C@H]3OC)O[C@@H]1CO
InChIInChI=1S/C38H62O9/c1-19(2)21-16-23(45-32-29(42)28(41)30(43-8)24(18-39)46-32)31-35(21,5)14-15-36(6)27-20(10-12-37(31,36)7)38-13-11-26(40)34(3,4)25(38)17-22(27)47-33(38)44-9/h10,19,21-33,39-42H,11-18H2,1-9H3/t21-,22-,23+,24+,25-,26-,27-,28+,29-,30+,31-,32-,33+,35-,36-,37+,38-/m0/s1
InChIKeyLGQJBCCTOFCNJY-KELRKIPVSA-N
Species of MetaboliteComponentSourceComments
Myrothecium inundatum (ncbitaxon:110576) - PubMed (30780164)
ChEBI Ontology
Outgoing Relation(s)
Myrotheside C (CHEBI:207648) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(2S,3S,4R,5S,6R)-2-[[(1R,5R,6S,7R,9S,10S,13S,14S,15S,17S,19S,22R)-19-hydroxy-22-methoxy-5,10,13,18,18-pentamethyl-9-propan-2-yl-23-oxahexacyclo[13.6.2.01,17.02,14.05,13.06,10]tricos-2-en-7-yl]oxy]-6-(hydroxymethyl)-5-methoxyoxane-3,4-diol