(Q105228185)

English

6beta-Chloro-4alpha,4aalpha-epoxy-2alpha,7beta-dihydroxy-2,5,5,8abeta-tetramethyldecahydronaphthalene-1beta-carboxylic acid

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

7-Chloro-3,6-dihydroxy-3,4a,8,8-tetramethyl-1a,2,4,5,6,7-hexahydronaphtho[4,4a-b]oxirene-4-carboxylic acid

1 reference

based on heuristic

inferred from SMILES

mass

318.123401516 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₅H₂₃ClO₅

0 references

canonical SMILES

O=C(O)C1C(O)(C)CC2OC23C(C)(C)C(Cl)C(O)CC13C

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isomeric SMILES

CC1(C)[C@@H](Cl)[C@@H](O)C[C@]2(C)[C@@H](C(=O)O)[C@](C)(O)C[C@@H]3O[C@]312

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found in taxon

Phomopsis

1 reference

stated in

Novel Highly Substituted Biraryl Ethers, Phomosines D-G, Isolated from the Endophytic FungusPhomopsis sp. fromAdenocarpus foliolosus

Adenocarpus foliolosus

1 reference

stated in

Novel Highly Substituted Biraryl Ethers, Phomosines D-G, Isolated from the Endophytic FungusPhomopsis sp. fromAdenocarpus foliolosus

Identifiers

InChI

InChI=1S/C15H23ClO5/c1-12(2)10(16)7(17)5-13(3)9(11(18)19)14(4,20)6-8-15(12,13)21-8/h7-10,17,20H,5-6H2,1-4H3,(H,18,19)/t7-,8-,9+,10-,13+,14+,15+/m0/s1

0 references

InChIKey

QUHIFZVMNSLMAB-ZEBSVQATSA-N

0 references

2 references

26 December 2021

matched by identifier from

InChIKey

QUHIFZVMNSLMAB-ZEBSVQATSA-N

ChEBI ID

216693

mapping relation type

exact match

1 reference

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C15H23ClO5/c1-12(2)10(16)7(17)5-13(3)9(11(18)19)14(4,20)6-8-15(12,13)21-8/h7-10,17,20H,5-6H2,1-4H3,(H,18,19)/t7-,8-,9+,10-,13+,14+,15+/m0/s1

1 reference

Natural Product Atlas ID

NPA019732

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

QUHIFZVMNSLMAB-ZEBSVQATSA-N

(Q105228185)

6beta-Chloro-4alpha,4aalpha-epoxy-2alpha,7beta-dihydroxy-2,5,5,8abeta-tetramethyldecahydronaphthalene-1beta-carboxylic acid

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Identifiers

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