(Q105172979)

English

4-Hydroxy-probotryane-1(10)-ene-14-aldeh

group of stereoisomers with the chemical formula C₁₅H₂₂O₃

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Statements

instance of

group of stereoisomers

0 references

1 reference

250.156894564 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₅H₂₂O₃

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canonical SMILES

O=CC12CC(C)(C)C3C(O)CC(C(=CC1O)C32)C

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isomeric SMILES

C[C@@H]1C[C@H](O)[C@@H]2[C@@H]3C1=CC(O)[C@@]3(C=O)CC2(C)C

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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/C15H22O3/c1-8-4-10(17)13-12-9(8)5-11(18)15(12,7-16)6-14(13,2)3/h5,7-8,10-13,17-18H,4,6H2,1-3H3/t8-,10+,11?,12+,13-,15+/m1/s1

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InChIKey

MVFWHTSNLGAMTI-QPZUIMDLSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

MVFWHTSNLGAMTI-QPZUIMDLSA-N

ChEBI ID

216587

mapping relation type

exact match

1 reference

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C15H22O3/c1-8-4-10(17)13-12-9(8)5-11(18)15(12,7-16)6-14(13,2)3/h5,7-8,10-13,17-18H,4,6H2,1-3H3/t8-,10+,11?,12+,13-,15+/m1/s1

1 reference

Natural Product Atlas ID

NPA019711

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

MVFWHTSNLGAMTI-QPZUIMDLSA-N

(Q105172979)

4-Hydroxy-probotryane-1(10)-ene-14-aldeh

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Identifiers

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