(Q105260050)

English

(1R,3R,4S,7S,9R,11S)-7-methoxy-2,2,4,9-tetramethyl-6-oxatricyclo[6.3.1.04,12]dodec-8(12)-ene-3,11-diol

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

7-methoxy-2,2,4,9-tetramethyl-6-oxatricyclo[6.3.1.0⁴,¹²]dodec-8(12)-ene-3,11-diol

1 reference

based on heuristic

inferred from SMILES

mass

282.183109312 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₆H₂₆O₄

0 references

canonical SMILES

OC1CC(C2=C3C1C(C)(C)C(O)C3(C)COC2OC)C

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isomeric SMILES

CO[C@H]1OC[C@]2(C)C3=C1[C@H](C)C[C@H](O)[C@H]3C(C)(C)[C@H]2O

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found in taxon

Geniculosporium

1 reference

stated in

Botryane metabolites from the fungus Geniculosporium sp. isolated from the marine red alga Polysiphonia.

Identifiers

InChI

InChI=1S/C16H26O4/c1-8-6-9(17)11-12-10(8)13(19-5)20-7-16(12,4)14(18)15(11,2)3/h8-9,11,13-14,17-18H,6-7H2,1-5H3/t8-,9+,11-,13+,14-,16-/m1/s1

0 references

InChIKey

SSZUWKMAQVAFIM-MCTCSXRWSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

SSZUWKMAQVAFIM-MCTCSXRWSA-N

ChEBI ID

214762

mapping relation type

exact match

1 reference

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C16H26O4/c1-8-6-9(17)11-12-10(8)13(19-5)20-7-16(12,4)14(18)15(11,2)3/h8-9,11,13-14,17-18H,6-7H2,1-5H3/t8-,9+,11-,13+,14-,16-/m1/s1

1 reference

Natural Product Atlas ID

NPA019374

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

SSZUWKMAQVAFIM-MCTCSXRWSA-N

(Q105260050)

(1R,3R,4S,7S,9R,11S)-7-methoxy-2,2,4,9-tetramethyl-6-oxatricyclo[6.3.1.04,12]dodec-8(12)-ene-3,11-diol

Statements

Identifiers

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