CHEBI:219240 - Aurisin K

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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 Aurisin K
ChEBI ID CHEBI:219240
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C30H36O8
Net Charge 0
Average Mass 524.610
Monoisotopic Mass 524.24102
InChI InChI=1S/C30H36O8/c1-9-11-12-10(2)29(8)16(20(34)19(33)15-24(29)27(15,5)6)25(36)30(12,37)38-22(11)21(35)13-17(31)18(32)14-23(26(14,3)4)28(9,13)7/h9-12,14-15,22-24,31,34,37H,1-8H3/t9-,10-,11+,12+,14-,15-,22-,23+,24+,28+,29+,30-/m0/s1
InChIKey RIBYBXVHBJUTBB-NAYZGCARSA-N
SMILES O=C1C2=C(O)C(=O)[C@H]3[C@@H]([C@@]2([C@@H](C)[C@H]4[C@@]1(O[C@@H]5C(=O)C6=C(O)C(=O)[C@H]7[C@@H]([C@@]6([C@H]([C@H]45)C)C)C7(C)C)O)C)C3(C)C
Metabolite of Species Details
Neonothopanus (NCBI:txid71957) See: DOI
ChEBI Ontology
Outgoing Aurisin K (CHEBI:219240) is a naphthofuran (CHEBI:39270)
IUPAC Name
(1R,2R,3S,4S,5R,7S,12S,14S,19S,21R,22S,23S)-9,12,17-trihydroxy-3,4,6,6,20,20,22,23-octamethyl-13-oxaheptacyclo[12.9.0.02,12.04,10.05,7.016,22.019,21]tricosa-9,16-diene-8,11,15,18-tetrone
Manual Xref Database
78437624 ChemSpider
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