sirohydrochlorin
Molecular Formula:
C42H48N4O16
InChI: InChI=1/C42H48N4O16/c1-41(17-39(59)60)23(5-9-35(51)52)29-14-27-21(11-37(55)56)19(3-7-33(47)48)25(43-27)13-26-20(4-8-34(49)50)22(12-38(57)58)28(44-26)15-31-42(2,18-40(61)62)24(6-10-36(53)54)30(46-31)16-32(41)45-29/h14-16,20,23-25,46H,3-13,17-18H2,1-2H3,(H,47,48)(H,49,50)(H,51,52)(H,53,54)(H,55,56)(H,57,58)(H,59,60)(H,61,62)/f/h47,49,51,53,55,57,59,61H
InChIKey: InChIKey=LMJHHAAWTOMXOQ-XWARBXFZCV
SMILES: CC1(C(C2=CC3=NC(=CC4=NC(CC5=NC(=C(C5CCC(=O)O)CC(=O)O)C=C1N2)C(=C4CC(=O)O)CCC(=O)O)C(C3(C)CC(=O)O)CCC(=O)O)CCC(=O)O)CC(=O)O
Names:
Precorrin
sirohydrochlorin
65207-12-7
Registries:
PubChem CID 1098
PubChem ID 3176
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