Viewing Compound With Structures

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Gene Compound Experiment Study Pathway Assay Report Bug Request Feature

Compound Report Overview

Compound Name: PARTHENOLIDE
Compound Identifier: 700645
Mol Structure 2D: 700645
Molecular Weight: 248
Formula: C15 H20 O3
Development Status: Laboratory Testing
SMILES: CC1=CCCC2(C)OC2C3OC(=O)C(=C)C3CC1
Activities CAS Curations Identifiers Literature Properties Similarities SMILES Structures Synonyms Targets
Compound Structures
>^ ISISHOST06100222192D 0 0.00000 0.00000 0^^ 21 23 0 1 0 999 V2000^ -1.2333 0.8250 0.0000 C 0 0 1 0 0 0 0 0 0^ -1.2458 -0.6542 0.0000 O 0 0 0 0 0 0 0 0 0^ -2.4708 0.1458 0.0000 C 0 0 2 0 0 0 0 0 0^ -0.0208 0.1208 0.0000 C 0 0 1 0 0 0 0 0 0^ 0.2542 -1.3292 0.0000 O 0 0 0 0 0 0 0 0 0^ 1.6625 -1.4792 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.2875 -0.2000 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.2167 0.8083 0.0000 C 0 0 2 0 0 0 0 0 0^ 1.2167 2.2333 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.3542 -2.7375 0.0000 O 0 0 0 0 0 0 0 0 0^ -1.2250 2.2333 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.7042 0.0208 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.4708 3.0083 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.0208 2.9625 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.7083 0.8458 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.1750 -1.0125 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.7083 2.3000 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.9708 1.0708 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.6458 1.8458 0.0000 H 0 0 0 0 0 0 0 0 0^ -0.9333 -1.3292 0.0000 H 0 0 0 0 0 0 0 0 0^ 1.9917 2.0333 0.0000 H 0 0 0 0 0 0 0 0 0^ 2 1 1 0 0 0^ 3 1 1 0 0 0^ 4 1 1 0 0 0^ 5 4 1 0 0 0^ 6 5 1 0 0 0^ 7 8 1 0 0 0^ 8 4 1 0 0 0^ 9 8 1 0 0 0^ 10 6 2 0 0 0^ 11 14 1 0 0 0^ 12 7 2 0 0 0^ 13 17 1 0 0 0^ 14 9 1 0 0 0^ 15 3 1 0 0 0^ 3 16 1 1 0 0^ 17 15 1 0 0 0^ 18 11 1 0 0 0^ 1 19 1 6 0 0^ 4 20 1 1 0 0^ 8 21 1 6 0 0^ 2 3 1 0 0 0^ 6 7 1 0 0 0^ 11 13 2 0 0 0^M END^^
Structure View
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