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CHEBI:223008 - Irumanolide I

ChEBI IDCHEBI:223008
ChEBI NameIrumanolide I
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SubmitterMetaboLights
DownloadsMolfile
FormulaC34H54O7
Net Charge0
Average Mass574.799
Monoisotopic Mass574.38695
SMILESCCC(=O)/C(C)=C/[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/C34H54O7/c1-9-29(36)25(6)18-21(2)19-26(7)33-27(8)31(38)22(3)14-15-28(35)13-11-10-12-23(4)32-24(5)16-17-34(39,41-32)20-30(37)40-33/h12,14-16,18,21-22,26-28,31-33,35,38-39H,9-11,13,17,19-20H2,1-8H3/b15-14-,23-12+,25-18+/t21-,22-,26+,27-,28+,31+,32-,33-,34-/m1/s1
InChIKeyJNPVEFIKDSAQPB-VQNIUATDSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (6885645)
ChEBI Ontology
Outgoing Relation(s)
Irumanolide I (CHEBI:223008) is a diterpene lactone (CHEBI:49193)
IUPAC Name 
(1R,5R,6R,7S,8R,9Z,11S,15E,17R)-5-[(E,2S,4S)-4,6-dimethyl-7-oxonon-5-en-2-yl]-1,7,11-trihydroxy-6,8,16,18-tetramethyl-4,21-dioxabicyclo[15.3.1]henicosa-9,15,18-trien-3-one
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78443053ChemSpider