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(Q77566440)
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English
Diaporthein A
bioactive natural product
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Statements
instance of
group of stereoisomers
0 references
subclass of
pimarane diterpenoid
0 references
mass
366.20423867999995
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₂₀H₃₀O₆
0 references
canonical SMILES
OC1C2=CC(C=C)(C)CC(O)C2(O)C34COC1(O)C4(O)C(C)(C)CCC3
0 references
isomeric SMILES
C=C[C@]1(C)C=C2C(O)C3(O)OC[C@@]4(CCCC(C)(C)[C@]34O)[C@@]2(O)[C@H](O)C1
0 references
Identifiers
InChI
InChI=1S/C20H30O6/c1-5-16(4)9-12-14(22)19(24)20(25)15(2,3)7-6-8-17(20,11-26-19)18(12,23)13(21)10-16/h5,9,13-14,21-25H,1,6-8,10-11H2,2-4H3/t13-,14?,16-,17+,18+,19?,20-/m1/s1
0 references
InChIKey
NKAJJQQELXJQCL-JOBDBGCSSA-N
2 references
stated in
PubChem
PubChem CID
139587455
language of work or name
English
stated in
Natural Product Atlas
PubChem CID
139587455
language of work or name
English
PubChem CID
139587455
2 references
stated in
PubChem
PubChem CID
139587455
language of work or name
English
matched by identifier from
InChIKey
InChIKey
NKAJJQQELXJQCL-JOBDBGCSSA-N
ChEBI ID
218398
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C20H30O6/c1-5-16(4)9-12-14(22)19(24)20(25)15(2,3)7-6-8-17(20,11-26-19)18(12,23)13(21)10-16/h5,9,13-14,21-25H,1,6-8,10-11H2,2-4H3/t13-,14?,16-,17+,18+,19?,20-/m1/s1
UniChem compound ID
170910588
1 reference
stated in
UniChem
Natural Product Atlas ID
NPA015659
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
NKAJJQQELXJQCL-JOBDBGCSSA-N
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