(Q75055255)

English

4β-acetoxy-9β-10β-15α-trihydroxyprobotrydial

bioactive natural product

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Statements

instance of

type of chemical entity

0 references

subclass of

(2,3,11-Trihydroxy-4,6,6,10-tetramethyl-8-tricyclo[5.3.1.04,11]undecanyl) acetate

1 reference

based on heuristic

inferred from SMILES

mass

312.193673996 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₇H₂₈O₅

0 references

canonical SMILES

O=C(OC1CC(C)C2C(O)C(O)C3(C)CC(C)(C)C1C23O)C

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isomeric SMILES

C[C@@H]1C[C@@H]([C@@H]2[C@@]3([C@H]1[C@H]([C@@H]([C@]3(CC2(C)C)C)O)O)O)OC(=O)C

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found in taxon

Botrytis cinerea

4 references

stated in

Metabolites from a shake culture of Botrytis cinerea

stated in

Biologically active sesquiterpenoid metabolites from the fungus Botrytis cinerea

stated in

Metabolites from a shake culture of Botrytis cinerea

stated in

Biotransformation of caryophyllene oxide by botrytis cinerea

Identifiers

InChI

InChI=1S/C17H28O5/c1-8-6-10(22-9(2)18)13-15(3,4)7-16(5)14(20)12(19)11(8)17(13,16)21/h8,10-14,19-21H,6-7H2,1-5H3/t8-,10+,11-,12-,13+,14+,16-,17-/m1/s1

0 references

InChIKey

XEUSNZUHUUORTO-SJSNFWCWSA-N

0 references

2 references

language of work or name

English

matched by identifier from

InChIKey

XEUSNZUHUUORTO-SJSNFWCWSA-N

ChEBI ID

197804

mapping relation type

exact match

1 reference

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C17H28O5/c1-8-6-10(22-9(2)18)13-15(3,4)7-16(5)14(20)12(19)11(8)17(13,16)21/h8,10-14,19-21H,6-7H2,1-5H3/t8-,10+,11-,12-,13+,14+,16-,17-/m1/s1

1 reference

Natural Product Atlas ID

NPA000304

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

XEUSNZUHUUORTO-SJSNFWCWSA-N

(Q75055255)

4β-acetoxy-9β-10β-15α-trihydroxyprobotrydial

Statements

Identifiers

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