CHEBI:208879 - Verruculosin A

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Verruculosin A
ChEBI ID CHEBI:208879
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C32H28O12
Net Charge 0
Average Mass 604.564
Monoisotopic Mass 604.15808
InChI InChI=1S/C32H28O12/c1-10-6-14(35)18-22-16(10)24(36)23-27(42-12(3)33)31(22,9-41-28(18)37)26-25-19-15(8-30(4,39)44-25)43-29(38)17-13(34)7-11(2)21(20(17)19)32(23,26)40-5/h6-7,15,23,26-27,34-35,39H,8-9H2,1-5H3/t15-,23+,26-,27+,30+,31+,32-/m1/s1
InChIKey DEARCXHXCAICCK-HGRCUTOXSA-N
SMILES O=C1O[C@H]2C3=C(O[C@@](C2)(O)C)[C@@H]4[C@@]56C=7C(C(=O)OC5)=C(O)C=C(C7C([C@H]([C@@]4(C=8C3=C1C(O)=CC8C)OC)[C@@H]6OC(=O)C)=O)C
Metabolite of Species Details
Talaromyces verruculosus (NCBI:txid198730) See: PubMed
ChEBI Ontology
Outgoing Verruculosin A (CHEBI:208879) is a organic heterotricyclic compound (CHEBI:26979)
Verruculosin A (CHEBI:208879) is a organooxygen compound (CHEBI:36963)
IUPAC Name
[(2S,3R,13S,14S,22R,24S,28S)-8,18,24-trihydroxy-14-methoxy-10,16,24-trimethyl-6,12,20-trioxo-5,21,25-trioxaoctacyclo[13.10.2.13,7.13,13.02,14.019,27.022,26.011,29]nonacosa-1(26),7,9,11(29),15(27),16,18-heptaen-28-yl] acetate
Manual Xref Database
81131470 ChemSpider
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