(Q105163185)

English

(+)-(7S,9R,10R)-3,9,12-trihydroxycalamenene

group of stereoisomers with the chemical formula C₁₅H₂₂O₃

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Statements

instance of

group of stereoisomers

0 references

subclass of

cadinane sesquiterpenoid

1 reference

inferred from

cadinane sesquiterpenoid

mass

250.156894564 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₅H₂₂O₃

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canonical SMILES

OC=1C=C2C(=CC1C)C(CC(O)C2C)C(C)CO

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isomeric SMILES

Cc1cc2c(cc1O)[C@@H](C)[C@H](O)C[C@H]2C(C)CO

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found in taxon

Phomopsis cassiae

1 reference

stated in

Cadinane sesquiterpenoids of Phomopsis cassiae, an endophytic fungus associated with Cassia spectabilis (Leguminosae)

Identifiers

InChI

InChI=1S/C15H22O3/c1-8-4-13-11(9(2)7-16)5-15(18)10(3)12(13)6-14(8)17/h4,6,9-11,15-18H,5,7H2,1-3H3/t9?,10-,11+,15-/m1/s1

0 references

InChIKey

MGBUZVXHLLSUJN-UFFDXJJYSA-N

0 references

2 references

2 January 2023

inferred from InChIKey

matched by identifier from

InChIKey

MGBUZVXHLLSUJN-UFFDXJJYSA-N

ChEBI ID

208760

mapping relation type

exact match

1 reference

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C15H22O3/c1-8-4-13-11(9(2)7-16)5-15(18)10(3)12(13)6-14(8)17/h4,6,9-11,15-18H,5,7H2,1-3H3/t9?,10-,11+,15-/m1/s1

1 reference

Natural Product Atlas ID

NPA018243

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

MGBUZVXHLLSUJN-UFFDXJJYSA-N

(Q105163185)

(+)-(7S,9R,10R)-3,9,12-trihydroxycalamenene

Statements

Identifiers

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