(Q105351707)

English

12-Hydroxydehydrobotrydienol

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

[1,3-bis(hydroxymethyl)-1,3,5-trimethyl-2H-inden-4-yl]methanol

1 reference

based on heuristic

inferred from SMILES

mass

250.156894564 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₅H₂₂O₃

0 references

canonical SMILES

OCC=1C(=CC=C2C1C(C)(CO)CC2(C)CO)C

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isomeric SMILES

Cc1ccc2c(c1CO)[C@@](C)(CO)C[C@@]2(C)CO

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found in taxon

Botrytis cinerea

4 references

stated in

Secobotrytriendiol and related sesquiterpenoids: new phytotoxic metabolites from Botrytis cinerea

stated in

Secobotrytriendiol and related sesquiterpenoids: new phytotoxic metabolites from Botrytis cinerea

stated in

Secobotrytriendiol and related sesquiterpenoids: new phytotoxic metabolites from Botrytis cinerea

stated in

Biotransformation of caryophyllene oxide by botrytis cinerea

Identifiers

InChI

InChI=1S/C15H22O3/c1-10-4-5-12-13(11(10)6-16)15(3,9-18)7-14(12,2)8-17/h4-5,16-18H,6-9H2,1-3H3/t14-,15+/m0/s1

0 references

InChIKey

YPJRKTIWVUVMDI-LSDHHAIUSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

ChEBI ID

227963

mapping relation type

exact match

1 reference

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C15H22O3/c1-10-4-5-12-13(11(10)6-16)15(3,9-18)7-14(12,2)8-17/h4-5,16-18H,6-9H2,1-3H3/t14-,15+/m0/s1

1 reference

Natural Product Atlas ID

NPA017655

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

YPJRKTIWVUVMDI-LSDHHAIUSA-N

(Q105351707)

12-Hydroxydehydrobotrydienol

Statements

Identifiers

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