Summary

Molecular formula: C19H24O5
SMILES: C/C=CC(=O)O[C@@H]1C[C@@H]2[C@]3([C@@]1(C)[C@@]1(C)CC(=O)C(=C[C@H]1O2)C)CO3
InChI: InChI=1S/C19H24O5/c1-5-6-16(21)24-14-8-15-19(10-22-19)18(14,4)17(3)9-12(20)11(2)7-13(17)23-15/h5-7,13-15H,8-10H2,1-4H3/b6-5-/t13-,14-,15-,17+,18-,19+/m1/s1
InChIKey: LJWZOKOFCBPNAG-HULHSAFCSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C=CC2OC3CCC(C2C1)C31CO1

Scaffold Graph/Node level:
OC1CCC2OC3CCC(C2C1)C31CO1

Scaffold Graph level:
CC1CCC2CC3CCC(C2C1)C31CC1

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Chemical classification

Kingdom: Organic compounds
Super class: Lipids and lipid-like molecules
Class: Prenol lipids
Sub class: Sesquiterpenoids

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Synonymous chemical names:
trichothecin

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External chemical identifiers:
CID_12444502; CAS_6379-69-7; CHEMSPIDER_10216230; ZINC_ZINC000031166176

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Chemical structure download