input word = C00046136

Metabolite InformationStructural formula
Name Metachromin E
Formula C22H28O4
Mw 356.19875938
CAS RN 143592-22-7
C_ID C00046136 ,
InChIKey VGWPPUHIRZBYJE-LMIKDBQWNA-N
InChICode InChI=1S/C22H28O4/c1-14-7-6-9-21(3,15(14)2)11-12-22(4)10-8-16-19(24)18(25-5)13-17(23)20(16)26-22/h8,10,13-14H,2,6-7,9,11-12H2,1,3-5H3/t14-,21-,22-/m1/s1
SMILES C1=C(C(=O)C2=C(C1=O)O[C@](C=C2)(CC[C@@]1(C(=C)[C@@H](CCC1)C)C)C)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Hippospongia metachromia Ref.
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OrganismHippospongia metachromia
ReferenceShen,J.Nat.Prod.,64,(2001),801