CHEBI:205647 - Botryosphaerin E

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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 Botryosphaerin E
ChEBI ID CHEBI:205647
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H32O5
Net Charge 0
Average Mass 352.471
Monoisotopic Mass 352.22497
InChI InChI=1S/C20H32O5/c1-13-6-7-15-19(3,9-5-10-20(15,4)17(23)24)14(13)8-11-18(2,25)12-16(21)22/h14-15,25H,1,5-12H2,2-4H3,(H,21,22)(H,23,24)/t14-,15+,18?,19+,20-/m0/s1
InChIKey LCXMQGJXOTYBJT-AAOSLUBHSA-N
SMILES O=C(O)[C@@]1([C@H]2[C@@]([C@H](C(=C)CC2)CCC(O)(CC(=O)O)C)(CCC1)C)C
Metabolite of Species Details
Botryosphaeria (NCBI:txid45132) See: DOI
ChEBI Ontology
Outgoing Botryosphaerin E (CHEBI:205647) is a diterpenoid (CHEBI:23849)
IUPAC Name
(1S,4aR,5S,8aR)-5-(4-carboxy-3-hydroxy-3-methylbutyl)-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid
Manual Xref Database
78441261 ChemSpider
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