CHEBI:205691 - Asnovolin 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 Asnovolin D
ChEBI ID CHEBI:205691
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C26H40O7
Net Charge 0
Average Mass 464.599
Monoisotopic Mass 464.27740
InChI InChI=1S/C26H40O7/c1-14-9-10-17(23(4,5)31)25(7,12-11-18(27)28)26(14)13-24(6)16(3)19(22(30)32-8)20(29)15(2)21(24)33-26/h14,16-17,19,31H,9-13H2,1-8H3,(H,27,28)/t14-,16-,17-,19-,24+,25-,26-/m0/s1
InChIKey DBVLHWIPFHLNFC-IGZQQFENSA-N
SMILES O=C1C(=C2O[C@@]3([C@]([C@H](C(O)(C)C)CC[C@@H]3C)(CCC(=O)O)C)C[C@]2(C)[C@H]([C@@H]1C(=O)OC)C)C
Metabolite of Species Details
Aspergillus (NCBI:txid5052) See: PubMed
ChEBI Ontology
Outgoing Asnovolin D (CHEBI:205691) is a monoterpenoid (CHEBI:25409)
IUPAC Name
3-[(1'S,2S,3'S,3aR,4S,5S,6'R)-6'-(2-hydroxypropan-2-yl)-5-methoxycarbonyl-1',3',3a,4,7-pentamethyl-6-oxospiro[4,5-dihydro-3H-1-benzouran-2,2'-cyclohexane]-1'-yl]propanoic acid
Manual Xref Database
76778714 ChemSpider
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