CHEBI:205106 - Neoverrucosan-5beta,9beta-diol

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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-diol
ChEBI ID CHEBI:205106
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H34O2
Net Charge 0
Average Mass 306.490
Monoisotopic Mass 306.25588
InChI InChI=1S/C20H34O2/c1-11(2)12-6-7-19(4)14(21)9-18(3)10-15(22)20(5)8-13(20)17(18)16(12)19/h11-17,21-22H,6-10H2,1-5H3/t12-,13-,14-,15+,16+,17+,18-,19+,20-/m0/s1
InChIKey AETSXIGZEHSKGX-OUBCPKIQSA-N
SMILES O[C@@H]1[C@@]2([C@@H]([C@H]3[C@H]4[C@@](C)([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-diol (CHEBI:205106) is a diterpenoid (CHEBI:23849)
IUPAC Name
(1R,2R,3S,6S,7S,9R,11R,12S,14S)-6,9,12-trimethyl-3-propan-2-yltetracyclo[7.5.0.02,6.012,14]tetradecane-7,11-diol
Manual Xref Database
9263249 ChemSpider
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