input word = C00046135

Metabolite InformationStructural formula
Name Metachromin B
(+)-Metachromin B
Formula C23H32O4
Mw 372.23005951
CAS RN 114466-75-0
C_ID C00046135 ,
InChIKey RHDKGXOTYDFQHO-XUAGQHRYNA-N
InChICode InChI=1S/C23H32O4/c1-15-8-7-10-22(3,16(15)2)12-13-23(4)11-9-17-20(24)18(25-5)14-19(26-6)21(17)27-23/h9,11,14-15,24H,2,7-8,10,12-13H2,1,3-6H3/t15-,22-,23-/m1/s1
SMILES c1c(c(c2c(c1OC)O[C@](C=C2)(CC[C@@]1(C(=C)[C@@H](CCC1)C)C)C)O)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