CHEBI:199116 - Neoverrucosan-5beta,9beta,18beta-triol

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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 Neoverrucosan-5beta,9beta,18beta-triol
ChEBI ID CHEBI:199116
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H34O3
Net Charge 0
Average Mass 322.489
Monoisotopic Mass 322.25079
InChI InChI=1S/C20H34O3/c1-11(2)12-5-6-19(4)14(22)8-18(3)9-15(23)20(10-21)7-13(20)17(18)16(12)19/h11-17,21-23H,5-10H2,1-4H3/t12-,13-,14-,15+,16+,17+,18-,19+,20+/m0/s1
InChIKey JAYDSYVXWHKZDH-MUOQQGGZSA-N
SMILES O[C@@H]1[C@@]2([C@@H]([C@H]3[C@H]4[C@@](CO)([C@@H](C[C@@]3(C1)C)O)C4)[C@H](C(C)C)CC2)C
Metabolite of Species Details
Saprospira (NCBI:txid1007) See: PubMed
ChEBI Ontology
Outgoing Neoverrucosan-5beta,9beta,18beta-triol (CHEBI:199116) is a diterpenoid (CHEBI:23849)
IUPAC Name
(1R,2R,3S,6S,7S,9S,11R,12S,14S)-12-(hydroxymethyl)-6,9-dimethyl-3-propan-2-yltetracyclo[7.5.0.02,6.012,14]tetradecane-7,11-diol
Manual Xref Database
9057087 ChemSpider
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