CHEBI:225527 - Subglutinol D

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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 Subglutinol D
ChEBI ID CHEBI:225527
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C27H40O5
Net Charge 0
Average Mass 444.612
Monoisotopic Mass 444.28757
InChI InChI=1S/C27H40O5/c1-15(14-28)11-19-13-27(6)22-8-7-16(2)21(26(22,5)10-9-23(27)32-19)12-20-24(29)17(3)18(4)31-25(20)30/h15,19,21-23,28-29H,2,7-14H2,1,3-6H3/t15?,19-,21-,22-,23+,26-,27+/m1/s1
InChIKey CYSPQTZOJNHPSJ-DPUHTPCNSA-N
SMILES O=C1OC(=C(C)C(=C1C[C@@H]2C(=C)CC[C@@H]3[C@@]2(CC[C@H]4[C@]3(C[C@@H](CC(CO)C)O4)C)C)O)C
Metabolite of Species Details
Metarhizium robertsii ARSEF 23 (NCBI:txid655844) See: PubMed
ChEBI Ontology
Outgoing Subglutinol D (CHEBI:225527) is a naphthofuran (CHEBI:39270)
IUPAC Name
3-[[(2R,3aS,5aR,6R,9aR,9bS)-2-(3-hydroxy-2-methylpropyl)-5a,9b-dimethyl-7-methylidene-2,3a,4,5,6,8,9,9a-octahydro-1H-benzo[e][1]benzouran-6-yl]methyl]-4-hydroxy-5,6-dimethylpyran-2-one
Manual Xref Database
78438766 ChemSpider
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