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CHEBI:227511 - Spicarin B

ChEBI IDCHEBI:227511
ChEBI NameSpicarin B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC41H49NO12
Net Charge0
Average Mass747.838
Monoisotopic Mass747.32548
SMILESCC(=O)Oc1c(C)c2c(c(OC(C)=O)c1OC(C)=O)[C@H]1O[C@@H]2[C@H]2C(=O)[C@@]34C(=O)N[C@@H](CC(C)C)[C@@H]3[C@H](C)C(C)=C[C@@H]4/C=C(\C)CC[C@@H](OC(C)=O)C(=O)[C@@H]21
InChIInChI=1S/C41H49NO12/c1-16(2)13-26-32-19(5)18(4)15-25-14-17(3)11-12-27(50-21(7)43)33(47)29-31(39(48)41(25,32)40(49)42-26)35-28-20(6)34(51-22(8)44)38(53-24(10)46)37(52-23(9)45)30(28)36(29)54-35/h14-16,19,25-27,29,31-32,35-36H,11-13H2,1-10H3,(H,42,49)/b17-14+/t19-,25+,26+,27-,29-,31+,32+,35+,36+,41+/m1/s1
InChIKeySLHZWKSMXWQVCN-MOGVXCGCSA-N
Roles Classification
Biological Role:
fungal metabolite  Any eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds.
ChEBI Ontology
Outgoing Relation(s)
Spicarin B (CHEBI:227511) has role fungal metabolite (CHEBI:76946)
Spicarin B (CHEBI:227511) is a cytochalasin (CHEBI:23528)
IUPAC Name 
[(1R,2S,4S,7S,8R,9S,12S,13E,17R,19S,20S)-22,23,24-triacetyloxy-9,10,14,25-tetramethyl-7-(2-methylpropyl)-3,5,18-trioxo-27-oxa-6-azahexacyclo[18.6.1.02,19.04,8.04,12.021,26]heptacosa-10,13,21,23,25-pentaen-17-yl] acetate
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40256736ChemSpider