Summary

Molecular formula: C19H26O5
SMILES: C/C=CC(=O)O[C@@H]1C[C@@H]2[C@]3([C@@]1(C)[C@@]1(C)C[C@H](O)C(=C[C@H]1O2)C)CO3
InChI: InChI=1S/C19H26O5/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/h5-7,12-15,20H,8-10H2,1-4H3/b6-5-/t12-,13+,14+,15+,17-,18+,19-/m0/s1
InChIKey: VRHZKNFFKJZHFD-DPEWJACVSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CC2OC3CCC(C2CC1)C31CO1

Scaffold Graph/Node level:
C1CCC2C(C1)OC1CCC2C12CO2

Scaffold Graph level:
C1CCC2C(C1)CC1CCC2C12CC2

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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 b

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External chemical identifiers:
CID_10246280; CHEMSPIDER_8421767; ZINC_ZINC000038421643

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Chemical structure download