CHEBI:202805 - Hymenopsin B

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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 Hymenopsin B
ChEBI ID CHEBI:202805
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C22H30O6
Net Charge 0
Average Mass 390.476
Monoisotopic Mass 390.20424
InChI InChI=1S/C22H30O6/c1-18(10-23)6-3-7-19(2)13-9-22-16(27-22)15(25)20(11-24)17(28-20)21(22,26)8-12(13)4-5-14(18)19/h4,13-14,16-17,23-24,26H,3,5-11H2,1-2H3/t13-,14-,16+,17-,18-,19+,20-,21+,22+/m0/s1
InChIKey KBWXJBCGMHNWPD-KPXXVMRZSA-N
SMILES O=C1[C@@]2(O[C@@H]2[C@]3(O)CC4=CC[C@@H]5[C@@]([C@H]4C[C@]63[C@@H]1O6)(CCC[C@]5(CO)C)C)CO
Metabolite of Species Details
Myrotheciumspecies SC0265 (NCBI:txid1539900) See: PubMed
ChEBI Ontology
Outgoing Hymenopsin B (CHEBI:202805) is a diterpenoid (CHEBI:23849)
IUPAC Name
(1S,3R,5S,7R,9R,10R,15R,16R,20R)-10-hydroxy-7,16-bis(hydroxymethyl)-16,20-dimethyl-4,8-dioxahexacyclo[10.8.0.03,5.03,10.07,9.015,20]icos-12-en-6-one
Manual Xref Database
24661412 ChemSpider
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