(Q104251193)

English

[(1R,3S,8R,9E,15R)-15-hydroxy-5-methylidene-6-oxo-7,14,16-trioxatetracyclo[8.4.3.01,13.04,8]heptadec-9-en-3-yl] 2-methylprop-2-enoate

group of stereoisomers with the chemical formula C₁₉H₂₂O₇

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instance of

group of stereoisomers

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subclass of

germacrane sesquiterpenoid

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inferred from

germacrane sesquiterpenoid

mass

362.136553044 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

chemical formula

C₁₉H₂₂O₇

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canonical SMILES

O=C(OC1CC23OC3CCC(=CC4OC(=O)C(=C)C41)COC2O)C(=C)C

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isomeric SMILES

C=C(C)C(=O)O[C@H]1C[C@@]23OC2CC/C(=C\[C@H]2OC(=O)C(=C)C12)CO[C@H]3O

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Identifiers

InChI

InChI=1S/C19H22O7/c1-9(2)16(20)25-13-7-19-14(26-19)5-4-11(8-23-18(19)22)6-12-15(13)10(3)17(21)24-12/h6,12-15,18,22H,1,3-5,7-8H2,2H3/b11-6+/t12-,13+,14?,15?,18-,19-/m1/s1

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InChIKey

ZGXVZQZFVYSUDU-ODKMHCRJSA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

ZGXVZQZFVYSUDU-ODKMHCRJSA-N

1 reference

(Q104251193)

[(1R,3S,8R,9E,15R)-15-hydroxy-5-methylidene-6-oxo-7,14,16-trioxatetracyclo[8.4.3.01,13.04,8]heptadec-9-en-3-yl] 2-methylprop-2-enoate

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