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CHEBI:219793 - Lacunalide B

ChEBI IDCHEBI:219793
ChEBI NameLacunalide B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC53H96O14
Net Charge0
Average Mass957.337
Monoisotopic Mass956.68001
SMILESCC1=CC[C@H](O)C[C@@H](O)C[C@H](O)C[C@@H](O)C[C@H](O)C[C@@H](O)[C@@H](C)[C@H](O)C=CC[C@H](O)CCC[C@H](O)CCC[C@H](O)CCCCCCC=CC[C@@H]([C@@H](C)[C@H](O)CCCCC[C@@H](C)O)OC(=O)C=C1
InChIInChI=1S/C53H96O14/c1-37-28-30-44(58)32-45(59)33-46(60)34-47(61)35-48(62)36-51(65)39(3)49(63)26-17-24-43(57)23-16-22-42(56)21-15-20-41(55)19-12-8-6-5-7-9-14-27-52(67-53(66)31-29-37)40(4)50(64)25-13-10-11-18-38(2)54/h9,14,17,26,28-29,31,38-52,54-65H,5-8,10-13,15-16,18-25,27,30,32-36H2,1-4H3/t38-,39+,40+,41-,42-,43-,44+,45-,46+,47-,48+,49-,50-,51-,52+/m1/s1
InChIKeyHICYMWUYYSBFIZ-IQIHRNMLSA-N
Species of MetaboliteComponentSourceComments
Gynuella sunshinyii (ncbitaxon:1445505) - PubMed (30025185)
ChEBI Ontology
Outgoing Relation(s)
Lacunalide B (CHEBI:219793) is a macrolide (CHEBI:25106)
IUPAC Name 
(8S,10R,12S,14R,16S,18R,19R,20R,24R,28R,32R,42S)-42-[(2S,3R,9R)-3,9-dihydroxydecan-2-yl]-8,10,12,14,16,18,20,24,28,32-decahydroxy-5,19-dimethyl-1-oxacyclodotetraconta-3,5,21,39-tetraen-2-one