input word = C00007375

Metabolite InformationStructural formula
Name Dihydrosirohydrochlorin
Precorrin 2
Formula C42H48N4O16
Mw 864.30653152
CAS RN 82542-92-5
C_ID C00007375 ,
InChIKey CSWLXNNNLVVXKD-YFGPOIHBNA-N
InChICode InChI=1S/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/h14-16,23-24,43-44,46H,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)/b29-14-,30-16-,31-15-/t23-,24-,41+,42+/m1/s1
SMILES c1(c(c2[nH]c1/C=C\1/[C@]([C@@H](/C(=C/C3=N/C(=C\c4c(c(c([nH]4)C2)CCC(=O)O)CC(=O)O)/[C@H]([C@@]3(CC(=O)O)C)CCC(=O)O)/N1)CCC(=O)O)(CC(=O)O)C)CCC(=O)O)CC(=O)O
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
PlantaeCruciferaeArabidopsis thaliana Ref.
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