input word = C00016820

Metabolite InformationStructural formula
Name GR 105155X
L 694599
Squalestatin
Squalestatin 1
Squalestatin S1
Zaragozic acid A
Formula C35H46O14
Mw 690.28875618
CAS RN 142561-96-4
C_ID C00016820 ,
InChIKey DFKDOZMCHOGOBR-UCEYXVIYNA-N
InChICode InChI=1S/C35H46O14/c1-7-19(2)17-20(3)13-14-25(37)47-28-27(38)33(48-29(30(39)40)34(45,31(41)42)35(28,49-33)32(43)44)16-15-21(4)26(46-23(6)36)22(5)18-24-11-9-8-10-12-24/h8-14,19-20,22,26-29,38,45H,4,7,15-18H2,1-3,5-6H3,(H,39,40)(H,41,42)(H,43,44)/b14-13+/t19-,20+,22+,26+,27+,28+,29+,33-,34+,35-/m0/s1
SMILES C=C(CC[C@]12O[C@H](C(=O)O)[C@@](O)(C(=O)O)[C@](C(=O)O)(O1)[C@H](OC(=O)/C=C/[C@@H](C)C[C@@H](C)CC)[C@H]2O)[C@@H](OC(C)=O)[C@H](C)Cc1ccccc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiPleosporaceaeSetosphaeria khartoumensis L1685 Ref.
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OrganismSetosphaeria khartoumensis L1685
ReferenceHasumi,J.Antibiotics 46,(1993),689