input word = C00049433

Metabolite InformationStructural formula
Name Bipinnatin H
Formula C24H28O9
Mw 460.17333249
CAS RN 134455-95-1
C_ID C00049433 ,
InChIKey ZKPQWDXTJKFKDU-UHFFFAOYNA-N
InChICode InChI=1S/C24H28O9/c1-11-6-18-21-23(4,33-21)9-14-7-15(22(27)31-14)17(29-12(2)25)8-16(24(5)10-28-24)20(19(11)32-18)30-13(3)26/h6-7,14,16-17,20-21H,8-10H2,1-5H3/t14-,16-,17?,20+,21-,23+,24+/m1/s1
SMILES CC(=O)OC1CC(C2(C)CO2)C(OC(C)=O)c2oc(cc2C)C2OC2(C)CC2C=C1C(=O)O2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Pseudopterogorgia bipinnata Ref.
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