Annotation Hits
N
Screening or library annotations
Compound
3-Hydroxy-3,5-dihydro ML-236C
NSID
NS00075358
SMILES
[Na+].C[C@H]1[C@H](O)C=C2CCCC[C@@H]2[C@H]1CC[C@@H](O)C[C@@H](O)CC([O-])=O
InChI
InChI=1S/C18H30O5.Na/c1-11-15(7-6-13(19)9-14(20)10-18(22)23)16-5-3-2-4-12(16)8-17(11)21;/h8,11,13-17,19-21H,2-7,9-10H2,1H3,(H,22,23);/q;+1/p-1/t11-,13-,14-,15+,16+,17-;/m1./s1
InChIKey
XBTWFFUSHWXAQH-WZLXKUJHSA-M
CAS Number
154417-69-3
2D Structure
RDKit depiction
See compound in other scientific sites:
References
N
Literature / database references
Patents
N
Patent records mentioning this compound
Monoisotopic Mass
N
Placeholder value (update later)
Temporal stripes
Literature stripe
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3D Structure
Interactive 3D view based on an RDKit ETKDG conformer (auto-loaded).