(Q105360297)

English

(1R,8S,10S)-3-(hydroxymethyl)-1,8-dimethyl-5,9,15-trioxatetracyclo[11.2.1.02,6.08,10]hexadeca-2(6),3,13(16)-trien-14-one

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

germacrane sesquiterpenoid

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mass

290.115423676 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₆H₁₈O₅

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canonical SMILES

O=C1OC2(C=C1CCC3OC3(C)CC=4OC=C(C42)CO)C

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isomeric SMILES

C[C@]12Cc3occ(CO)c3[C@@]3(C)C=C(CC[C@@H]1O2)C(=O)O3

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found in taxon

Neolitsea daibuensis

1 reference

stated in

Secondary metabolites from the roots of Neolitsea daibuensis and their anti-inflammatory activity

Identifiers

InChI

InChI=1S/C16H18O5/c1-15-6-11-13(10(7-17)8-19-11)16(2)5-9(14(18)21-16)3-4-12(15)20-15/h5,8,12,17H,3-4,6-7H2,1-2H3/t12-,15-,16+/m0/s1

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InChIKey

YSNWRSNYVWUHBG-VBNZEHGJSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

YSNWRSNYVWUHBG-VBNZEHGJSA-N

(Q105360297)

(1R,8S,10S)-3-(hydroxymethyl)-1,8-dimethyl-5,9,15-trioxatetracyclo[11.2.1.02,6.08,10]hexadeca-2(6),3,13(16)-trien-14-one

Statements

Identifiers

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