CHEBI:227213 - Neomacrophorin V

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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 Neomacrophorin V
ChEBI ID CHEBI:227213
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C22H32O5
Net Charge 0
Average Mass 376.493
Monoisotopic Mass 376.22497
InChI InChI=1S/C22H32O5/c1-12-5-6-15-20(2,3)16(24)7-8-21(15,4)14(12)10-22-17(25)9-13(11-23)18(26)19(22)27-22/h9,14-16,18-19,23-24,26H,1,5-8,10-11H2,2-4H3/t14-,15-,16+,18+,19-,21+,22+/m0/s1
InChIKey ZJIGIRXWBMNWPJ-PUJGGSSQSA-N
SMILES O=C1C=C([C@@H](O)[C@H]2[C@@]1(O2)C[C@H]3C(=C)CC[C@@H]4[C@@]3(CC[C@H](C4(C)C)O)C)CO
Metabolite of Species Details
Trichodermaspecies 1212-03 (NCBI:txid1421414) See: PubMed
ChEBI Ontology
Outgoing Neomacrophorin V (CHEBI:227213) is a cyclohexenones (CHEBI:48953)
IUPAC Name
(1S,5R,6S)-1-[[(1S,4aR,6R,8aR)-6-hydroxy-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methyl]-5-hydroxy-4-(hydroxymethyl)-7-oxabicyclo[4.1.0]hept-3-en-2-one