CHEBI:227805 - Spiroterreusnoid C

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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 Spiroterreusnoid C
ChEBI ID CHEBI:227805
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C28H40O7
Net Charge 0
Average Mass 488.621
Monoisotopic Mass 488.27740
InChI InChI=1S/C28H40O7/c1-13-12-17-25(7)10-11-28(34-14(2)15(3)35-28)24(5,6)19(25)18(29)22(31)27(17,9)20-23(32)33-16(4)21(30)26(13,20)8/h14-17,19-20,22,31H,1,10-12H2,2-9H3/t14-,15-,16-,17-,19+,20-,22+,25-,26+,27-/m0/s1
InChIKey HOTGAJUCOXYBKH-FZBNHVRJSA-N
SMILES O=C1O[C@H](C(=O)[C@]2([C@H]1[C@]3([C@H](O)C(=O)[C@@H]4C(C5(O[C@@H](C)[C@@H](O5)C)CC[C@]4([C@@H]3CC2=C)C)(C)C)C)C)C
Metabolite of Species Details
Aspergillus (NCBI:txid5052) See: PubMed
ChEBI Ontology
Outgoing Spiroterreusnoid C (CHEBI:227805) is a organic heterotricyclic compound (CHEBI:26979)
Spiroterreusnoid C (CHEBI:227805) is a organooxygen compound (CHEBI:36963)
IUPAC Name
(2'S,4S,4'aR,4'bS,5S,5'S,6'aS,10'aS,10'bS,12'aS)-5'-hydroxy-2',4,4'b,5,7',7',10'a,12'a-octamethyl-12'-methylidenespiro[1,3-dioxolane-2,8'-5,6a,9,10,10b,11-hexahydro-4aH-naphtho[1,2-h]isochromene]-1',4',6'-trione