(Q105347610)

English

Phomophyllin I

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

2a-hydroxy-3,6,6,7b-tetramethyl-2,3,4a,5,7,7a-hexahydro-1H-cyclobuta[e]inden-4-one

1 reference

based on heuristic

inferred from SMILES

mass

236.177630008 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

2a-Hydroxy-3,6,6,7b-tetramethyldecahydro-4H-cyclobuta[e]inden-4-one

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₅H₂₄O₂

0 references

canonical SMILES

O=C1C(C)C2(O)CCC2(C)C3CC(C)(C)CC13

0 references

isomeric SMILES

C[C@H]1C(=O)[C@@H]2CC(C)(C)C[C@@H]2[C@@]2(C)CC[C@@]12O

0 references

found in taxon

Phomopsis

1 reference

stated in

Protoilludane, Illudalane, and Botryane Sesquiterpenoids from the Endophytic Fungus Phomopsis sp. TJ507A

Identifiers

InChI

InChI=1S/C15H24O2/c1-9-12(16)10-7-13(2,3)8-11(10)14(4)5-6-15(9,14)17/h9-11,17H,5-8H2,1-4H3/t9-,10+,11-,14+,15+/m0/s1

0 references

InChIKey

YFIXPNVIFRNVFU-GLRJYAJPSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

YFIXPNVIFRNVFU-GLRJYAJPSA-N

ChEBI ID

209566

mapping relation type

exact match

1 reference

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C15H24O2/c1-9-12(16)10-7-13(2,3)8-11(10)14(4)5-6-15(9,14)17/h9-11,17H,5-8H2,1-4H3/t9-,10+,11-,14+,15+/m0/s1

1 reference

Natural Product Atlas ID

NPA022667

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

YFIXPNVIFRNVFU-GLRJYAJPSA-N

(Q105347610)

Phomophyllin I

Statements

Identifiers

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