CHEBI:204718 - Bacillisporin D

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 Bacillisporin D
ChEBI ID CHEBI:204718
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C26H18O10
Net Charge 0
Average Mass 490.420
Monoisotopic Mass 490.09000
InChI InChI=1S/C26H18O10/c1-7-3-10(28)14-18-11(7)15-16-20(29)12-8(2)4-9(27)13-17(12)25(21(16)30,5-35-23(13)32)19(15)22(31)26(18,34)6-36-24(14)33/h3-4,16,21,27-28,30,34H,5-6H2,1-2H3/t16-,21?,25-,26?/m0/s1
InChIKey SCVGKUUIKGANLF-SIRBZUTESA-N
SMILES O=C1OCC2(O)C(=O)C=3[C@@]45C=6C(C(=O)OC4)=C(O)C=C(C6C([C@H](C3C7=C2C1=C(O)C=C7C)C5O)=O)C
Metabolite of Species Details
Talaromyces (NCBI:txid5094) See: PubMed
ChEBI Ontology
Outgoing Bacillisporin D (CHEBI:204718) is a tetralins (CHEBI:36786)
IUPAC Name
(1S,14R)-4,9,19,24-tetrahydroxy-11,17-dimethyl-6,22-dioxaheptacyclo[12.9.1.11,16.14,8.02,13.012,26.020,25]hexacosa-2(13),8,10,12(26),16(25),17,19-heptaene-3,7,15,21-tetrone
Manual Xref Database
78437186 ChemSpider
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