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12-epi-hapalindole D (isothiocyanate)

PropertiesImageOccurences in reactions
MNX_IDMNXM1100909Image of MNXM1100909
#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
formulaC21H24N2S
charge0
mass336.16602
referencemetacycM:CPD-20816
InChIKeyPPHWDUZMWNUINO-CGRMTHRGSA-N
InChIInChI=1S/C21H24N2S/c1-5-21(4)11-10-15(14(2)3)19(20(21)23-13-24)17-12-22-18-9-7-6-8-16(17)18/h5-9,12,15,19-20,22H,1-2,10-11H2,3-4H3/t15-,19+,20-,21-/m1/s1
SMILESC=C[C@]1(C)CC[C@H](C(=C)C)[C@@H](c2c[nH]c3ccccc23)[C@H]1N=C=S
Parent-child relations graph
Deprecated MNXref IDs graph
Similar chemical compounds in external resources
IdentifierDescription
metacyc.compound:CPD-20816
metacycM:CPD-20816
seed.compound:cpd35624
seedM:cpd35624
12-epi-hapalindole D (isothiocyanate)
seedM:M_cpd35624 secondary/obsolete/fantasy identifier