input word = C00041548

Metabolite InformationStructural formula
Name Globostellatic acid B
Formula C33H48O7
Mw 556.34000389
CAS RN 175669-11-1
C_ID C00041548 ,
InChIKey MBQOCAYHVGZDCH-GOAMIICUNA-N
InChICode InChI=1S/C33H48O7/c1-20(24(39-9)13-16-30(4,5)38)11-10-12-21(2)28-23(35)19-26-31(6)18-15-27(40-22(3)34)33(8,29(36)37)25(31)14-17-32(26,28)7/h10-13,16,24-27,38H,14-15,17-19H2,1-9H3,(H,36,37)/b12-10+,16-13+,20-11+,28-21+/t24-,25-,26+,27-,31-,32-,33-/m1/s1
SMILES C1[C@@]2([C@H]([C@]([C@@H](C1)OC(=O)C)(C(=O)O)C)CC[C@@]1([C@H]2CC(=O)/C/1=C(\C=C\C=C(\[C@@H](/C=C/C(C)(C)O)OC)/C)/C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Jaspis sp. Ref.
--Rhabdastrella globostellata Ref.
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OrganismJaspis sp.
ReferenceZampella,J.Nat.Prod.,63,(2000),943