(Q106039672)

English

aculene D

chemical compound

(3aR,8S,8aR)-3-ethyl-8-hydroxy-6,8a-dimethyl-4,7,8,8a-tetrahydroazulen-1(3aH)-one

In more languages

default values for all languages

No label defined

No description defined

Statements

type of chemical entity

0 references

chemical compound

0 references

220.14632988 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₁₄H₂₀O₂

0 references

canonical SMILES

O=C1C=C(CC)C2CC=C(C)CC(O)C12C

0 references

isomeric SMILES

CCC1=CC(=O)[C@@]2(C)[C@@H](O)CC(C)=CC[C@H]12

0 references

Aspergillus aculeatus

1 reference

Dereplication Guided Discovery of Secondary Metabolites of Mixed Biosynthetic Origin from Aspergillus aculeatus

Identifiers

InChI=1S/C14H20O2/c1-4-10-8-13(16)14(3)11(10)6-5-9(2)7-12(14)15/h5,8,11-12,15H,4,6-7H2,1-3H3/t11-,12+,14-/m1/s1

1 reference

ChEBI release 2021-03-01

IIQOUDJDCRTCJY-MBNYWOFBSA-N

1 reference

ChEBI release 2021-03-01

2 references

ChEBI release 2021-03-01

matched by identifier from

IIQOUDJDCRTCJY-MBNYWOFBSA-N

mapping relation type

2 references

ChEBI release 2021-03-01

matched by identifier from

International Chemical Identifier

InChI=1S/C14H20O2/c1-4-10-8-13(16)14(3)11(10)6-5-9(2)7-12(14)15/h5,8,11-12,15H,4,6-7H2,1-3H3/t11-,12+,14-/m1/s1

UniChem compound ID

1 reference

Natural Product Atlas ID

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

IIQOUDJDCRTCJY-MBNYWOFBSA-N

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