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CHEBI:223002 - Irumanolide II

ChEBI IDCHEBI:223002
ChEBI NameIrumanolide II
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SubmitterMetaboLights
DownloadsMolfile
FormulaC34H56O8
Net Charge0
Average Mass592.814
Monoisotopic Mass592.39752
SMILESCCC(=O)[C@H](C)[C@H](O)[C@@H](C)C[C@H](C)[C@H]1OC(=O)C[C@]2(O)CC=C(C)[C@H](O2)/C(C)=C/CCC[C@H](O)/C=C\[C@H](C)[C@@H](O)[C@H]1C
InChIInChI=1S/C34H56O8/c1-9-28(36)25(7)31(39)23(5)18-24(6)33-26(8)30(38)20(2)14-15-27(35)13-11-10-12-21(3)32-22(4)16-17-34(40,42-32)19-29(37)41-33/h12,14-16,20,23-27,30-33,35,38-40H,9-11,13,17-19H2,1-8H3/b15-14-,21-12+/t20-,23-,24-,25-,26+,27-,30+,31+,32+,33+,34-/m0/s1
InChIKeyOOJRNONYBXTOMZ-ZPILLVENSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (6885645)
ChEBI Ontology
Outgoing Relation(s)
Irumanolide II (CHEBI:223002) is a diterpene lactone (CHEBI:49193)
IUPAC Name 
(1S,5R,6R,7R,8S,9Z,11S,15E,17R)-1,7,11-trihydroxy-5-[(2S,4S,5R,6R)-5-hydroxy-4,6-dimethyl-7-oxononan-2-yl]-6,8,16,18-tetramethyl-4,21-dioxabicyclo[15.3.1]henicosa-9,15,18-trien-3-one
Manual XrefsDatabases
78443052ChemSpider