(Q104958832)

English

[(3aR,4S,6E,10Z,11aR)-10-(hydroxymethyl)-6-methyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] 3-hydroxy-2-oxopropanoate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

[10-(Hydroxymethyl)-6-methyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] 3-hydroxy-2-oxopropanoate

1 reference

based on heuristic

inferred from SMILES

mass

350.136553044 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₈H₂₂O₇

0 references

canonical SMILES

O=C(OC1CC(=CCCC(=CC2OC(=O)C(=C)C21)CO)C)C(=O)CO

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isomeric SMILES

C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(\C)C[C@H](OC(=O)C(=O)CO)[C@@H]12

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found in taxon

Brachylaena discolor var. transvaalensis

1 reference

stated in

Sesquiterpene lactones from Brachylaena species

Identifiers

InChI

InChI=1S/C18H22O7/c1-10-4-3-5-12(8-19)7-15-16(11(2)17(22)24-15)14(6-10)25-18(23)13(21)9-20/h4,7,14-16,19-20H,2-3,5-6,8-9H2,1H3/b10-4+,12-7-/t14-,15+,16+/m0/s1

0 references

InChIKey

CHIQPSWMOMNTPF-DGGQXIQBSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

CHIQPSWMOMNTPF-DGGQXIQBSA-N

(Q104958832)

[(3aR,4S,6E,10Z,11aR)-10-(hydroxymethyl)-6-methyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] 3-hydroxy-2-oxopropanoate

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Identifiers

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