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(Q105186375)
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English
2-[(8-{[3a,5a-dihydroxy-9a,11a-dimethyl-1-(6-oxopyran-3-yl)-dodecahydro-1H-cyclopenta[a]phenanthren-7-yl]oxy}-1-hydroxy-8-oxooctylidene)amino]-5-carbamimidamidopentanoic acid
group of stereoisomers with the chemical formula C₃₈H₅₈N₄O₉
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Statements
instance of
group of stereoisomers
0 references
subclass of
bufanolide
1 reference
inferred from
bufanolide
mass
714.4203794360004
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₃₈H₅₈N₄O₉
0 references
canonical SMILES
CC12CCC(OC(=O)CCCCCCC(=O)NC(CCCNC(=N)N)C(=O)O)CC1(O)CCC1C2CCC2(C)C(c3ccc(=O)oc3)CCC12O
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Identifiers
InChI
InChI=1S/C38H58N4O9/c1-35-17-13-25(51-32(45)10-6-4-3-5-9-30(43)42-29(33(46)47)8-7-21-41-34(39)40)22-37(35,48)19-15-28-27(35)14-18-36(2)26(16-20-38(28,36)49)24-11-12-31(44)50-23-24/h11-12,23,25-29,48-49H,3-10,13-22H2,1-2H3,(H,42,43)(H,46,47)(H4,39,40,41)
0 references
InChIKey
NVQQTFUNFWUIQD-UHFFFAOYSA-N
0 references
PubChem CID
13832048
1 reference
based on heuristic
inferred from InChIKey
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