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(Q75063928)
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Astraodoric Acids B
bioactive natural product
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Statements
instance of
group of stereoisomers
0 references
subclass of
lanostane triterpenoid
0 references
mass
470.339609952
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₃₀H₄₆O₄
0 references
canonical SMILES
O=C(O)C(=CCC(O)C(C)C1CCC2(C3=C(CCC12C)C4(C)CCC(=O)C(C)(C)C4CC3)C)C
0 references
isomeric SMILES
C/C(=C\CC(O)[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)C1CC3)C(=O)O
0 references
found in taxon
Astraeus odoratus
1 reference
stated in
Astraodoric acids A-D: new lanostane triterpenes from edible mushroom Astraeus odoratus and their anti-Mycobacterium tuberculosis H37Ra and cytotoxic activity
Identifiers
InChI
InChI=1S/C30H46O4/c1-18(26(33)34)8-10-23(31)19(2)20-12-16-30(7)22-9-11-24-27(3,4)25(32)14-15-28(24,5)21(22)13-17-29(20,30)6/h8,19-20,23-24,31H,9-17H2,1-7H3,(H,33,34)/b18-8+/t19-,20+,23?,24?,28+,29+,30-/m0/s1
0 references
InChIKey
DAWUBVGAAHCLBD-GRDZBGGZSA-N
2 references
stated in
PubChem
PubChem CID
139583560
language of work or name
English
stated in
Natural Product Atlas
PubChem CID
139583560
language of work or name
English
PubChem CID
139583560
2 references
stated in
PubChem
PubChem CID
139583560
language of work or name
English
matched by identifier from
InChIKey
InChIKey
DAWUBVGAAHCLBD-GRDZBGGZSA-N
ChEBI ID
198967
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C30H46O4/c1-18(26(33)34)8-10-23(31)19(2)20-12-16-30(7)22-9-11-24-27(3,4)25(32)14-15-28(24,5)21(22)13-17-29(20,30)6/h8,19-20,23-24,31H,9-17H2,1-7H3,(H,33,34)/b18-8+/t19-,20+,23?,24?,28+,29+,30-/m0/s1
UniChem compound ID
170907150
1 reference
stated in
UniChem
Natural Product Atlas ID
NPA001644
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
DAWUBVGAAHCLBD-GRDZBGGZSA-N
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