Summary

Molecular formula: C19H24O6
SMILES: C/C=CC(=O)O[C@@H]1[C@@H](O)[C@@H]2[C@]3([C@@]1(C)[C@@]1(C)CC(=O)C(=C[C@H]1O2)C)CO3
InChI: InChI=1S/C19H24O6/c1-5-6-13(21)25-15-14(22)16-19(9-23-19)18(15,4)17(3)8-11(20)10(2)7-12(17)24-16/h5-7,12,14-16,22H,8-9H2,1-4H3/b6-5-/t12-,14-,15-,16-,17+,18-,19+/m1/s1
InChIKey: RVOJMELIZZNGBE-DUGZWPNFSA-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:
trichothecinol a

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External chemical identifiers:
CID_10472929; NPATLAS_NPA003506; CHEMSPIDER_8648340; ZINC_ZINC000038929397

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Chemical structure download