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(3alphaS,21R)-strictosidinate

PropertiesImageOccurences in reactions
MNX_IDMNXM1100806Image of MNXM1100806
#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
formulaC26H32N2O9
charge0
mass516.21078
referencemetacycM:CPD-21272
InChIKeyCMMIVMFGFIBAGC-GRRDEXPCSA-N
InChIInChI=1S/C26H32N2O9/c1-2-12-15(9-18-20-14(7-8-27-18)13-5-3-4-6-17(13)28-20)16(24(33)34)11-35-25(12)37-26-23(32)22(31)21(30)19(10-29)36-26/h2-6,11-12,15,18-19,21-23,25-32H,1,7-10H2,(H,33,34)/t12-,15+,18+,19+,21+,22-,23+,25-,26-/m1/s1
SMILESC=C[C@@H]1[C@H](C[C@@H]2[NH2+]CCc3c2[nH]c2ccccc32)C(C(=O)[O-])=CO[C@@H]1O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O
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Similar chemical compounds in external resources
IdentifierDescription
metacyc.compound:CPD-21272
metacycM:CPD-21272
seed.compound:cpd34854
seedM:cpd34854
(3alphaS,21R)-strictosidinate
(3alphaS,21R)-strictosidinic acid
seedM:M_cpd34854 secondary/obsolete/fantasy identifier