(Q105378913)

English

(2E,4E)-3-methyl-5-[(1S,2S,3R,5R,7R,8S)-2,3,8-trihydroxy-7-methoxy-1,5-dimethyl-6-oxabicyclo[3.2.1]octan-8-yl]penta-2,4-dienoic acid

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

cyclofarnesoid

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mass

328.152203108 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

3-methyl-5-[(1S,2S,3R,5R,7R,8S)-2,3,8-trihydroxy-7-methoxy-1,5-dimethyl-6-oxabicyclo[3.2.1]octan-8-yl]penta-2,4-dienoic acid

1 reference

based on heuristic

inferred from InChIKey

chemical formula

C₁₆H₂₄O₇

0 references

canonical SMILES

O=C(O)C=C(C=CC1(O)C2(OC(OC)C1(C)C(O)C(O)C2)C)C

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isomeric SMILES

CO[C@@H]1O[C@]2(C)C[C@@H](O)[C@@H](O)[C@@]1(C)[C@@]2(O)/C=C/C(C)=C/C(=O)O

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found in taxon

Mallotus apelta

1 reference

stated in

A new sesquiterpenoid from Mallotus apelta

Identifiers

InChI

InChI=1S/C16H24O7/c1-9(7-11(18)19)5-6-16(21)14(2)8-10(17)12(20)15(16,3)13(22-4)23-14/h5-7,10,12-13,17,20-21H,8H2,1-4H3,(H,18,19)/b6-5+,9-7+/t10-,12-,13-,14-,15-,16-/m1/s1

0 references

InChIKey

ZLIUSNKZCJVGIC-GEDZDEEMSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

ZLIUSNKZCJVGIC-GEDZDEEMSA-N

(Q105378913)

(2E,4E)-3-methyl-5-[(1S,2S,3R,5R,7R,8S)-2,3,8-trihydroxy-7-methoxy-1,5-dimethyl-6-oxabicyclo[3.2.1]octan-8-yl]penta-2,4-dienoic acid

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Identifiers

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