input word = C00046134

Metabolite InformationStructural formula
Name Metachromin A
(-)-Metachromin A
Formula C22H30O4
Mw 358.21440945
CAS RN 114466-74-9
C_ID C00046134 ,
InChIKey IAMSURZACLERPY-TYGRZRRMNA-N
InChICode InChI=1S/C22H30O4/c1-14(10-12-22(4)11-6-7-15(2)16(22)3)8-9-17-20(24)18(23)13-19(26-5)21(17)25/h8,13,15,24H,3,6-7,9-12H2,1-2,4-5H3/b14-8+/t15-,22-/m1/s1
SMILES C=C1[C@H](C)CCC[C@]1(C)CC/C(C)=C/CC1=C(O)C(=O)C=C(OC)C1=O
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