input word = C00030747

Metabolite InformationStructural formula
Name Metachromin R
Metachromine R
Formula C29H37NO3
Mw 447.27734405
CAS RN 1007858-89-0
C_ID C00030747 ,
InChIKey ZFZOXCIPQCNIRP-YIQMWISZNA-N
InChICode InChI=1S/C29H37NO3/c1-20(14-17-29(4)16-8-9-21(2)22(29)3)12-13-24-27(32)25(19-26(31)28(24)33)30-18-15-23-10-6-5-7-11-23/h5-7,9-12,19,22,30,33H,8,13-18H2,1-4H3/b20-12+/t22-,29-/m1/s1
SMILES C1(=CCC[C@]([C@@H]1C)(C)CC/C(=C/CC1=C(C(=O)C=C(C1=O)NCCc1ccccc1)O)/C)C
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Asp IPP L-His
Organism
Kingdom Family Species Reference
--Spongia sp. Ref.
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OrganismSpongia sp.
ReferenceTakahashi,Chem.Pharm.Bull.,55,(2007),1731