Viewing Compound With Structures

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Gene Compound Experiment Study Pathway Assay Report Bug Request Feature

Compound Report Overview

Compound Name: SWERTIAMARIN
Compound Identifier: 705712
Mol Structure 2D: 705712
Molecular Weight: 374
Formula: C16 H22 O10
Development Status: Preclinical
SMILES: OCC1OC(OC2OC=C3C(=O)OCCC3(O)C2C=C)C(O)C(O)C1O
Activities CAS Curations Identifiers Literature Properties Similarities SMILES Structures Synonyms Targets
Compound Structures
>^ ISISHOST06100223012D 0 0.00000 0.00000 0^^ 26 28 0 1 0 999 V2000^ 1.2792 -1.9792 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.2667 -1.0542 0.0000 C 0 0 2 0 0 0 0 0 0^ -1.1458 0.5458 0.0000 C 0 0 1 0 0 0 0 0 0^ 0.4667 -0.5792 0.0000 C 0 0 2 0 0 0 0 0 0^ -1.9958 1.0458 0.0000 C 0 0 1 0 0 0 0 0 0^ -1.9958 2.0208 0.0000 C 0 0 2 0 0 0 0 0 0^ -0.2833 -1.0417 0.0000 C 0 0 2 0 0 0 0 0 0^ -0.3208 1.0458 0.0000 O 0 0 0 0 0 0 0 0 0^ 0.4667 -2.4542 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.1458 -0.5417 0.0000 O 0 0 0 0 0 0 0 0 0^ -1.1625 2.4750 0.0000 C 0 0 1 0 0 0 0 0 0^ 2.0917 -2.4542 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.3208 1.9958 0.0000 C 0 0 1 0 0 0 0 0 0^ -0.2833 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0^ 0.4500 0.3125 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.9000 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0^ 2.0917 -3.4167 0.0000 O 0 0 0 0 0 0 0 0 0^ 2.0792 -0.5792 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.2792 -0.0792 0.0000 O 0 0 0 0 0 0 0 0 0^ -2.8000 0.5458 0.0000 O 0 0 0 0 0 0 0 0 0^ -2.8500 2.4833 0.0000 O 0 0 0 0 0 0 0 0 0^ 1.2792 0.7958 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.1625 3.4833 0.0000 O 0 0 0 0 0 0 0 0 0^ 2.8917 -1.0417 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.4667 2.4833 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.3042 2.0208 0.0000 O 0 0 0 0 0 0 0 0 0^ 2 1 1 0 0 0^ 3 10 1 1 0 0^ 4 2 1 0 0 0^ 5 3 1 0 0 0^ 6 5 1 0 0 0^ 7 14 1 0 0 0^ 8 3 1 0 0 0^ 9 1 2 0 0 0^ 7 10 1 1 0 0^ 11 13 1 0 0 0^ 12 1 1 0 0 0^ 13 8 1 0 0 0^ 14 9 1 0 0 0^ 4 15 1 6 0 0^ 16 12 1 0 0 0^ 17 12 2 0 0 0^ 18 2 1 0 0 0^ 2 19 1 1 0 0^ 5 20 1 6 0 0^ 6 21 1 1 0 0^ 22 15 2 0 0 0^ 11 23 1 6 0 0^ 24 16 1 0 0 0^ 13 25 1 1 0 0^ 26 25 1 0 0 0^ 24 18 1 0 0 0^ 7 4 1 0 0 0^ 11 6 1 0 0 0^M END^^
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