input word = C00018131

Metabolite InformationStructural formula
Name (+)-Ambruticin
(+)-Ambruticin S
Ambruticin
Ambruticin S
Antibiotic Acid S
NSC 328415
SMP 78 Acid S
W 7783
Formula C28H42O6
Mw 474.29813907
CAS RN 58857-02-6
C_ID C00018131 ,
InChIKey TYIXBSJXUFTELJ-UEZHDMPFNA-N
InChICode InChI=1S/C28H42O6/c1-6-24-17(3)8-11-25(34-24)18(4)13-16(2)7-9-21-19(5)22(21)10-12-26-28(32)23(29)14-20(33-26)15-27(30)31/h7-10,12-13,16,19-26,28-29,32H,6,11,14-15H2,1-5H3,(H,30,31)/b9-7+,12-10+,18-13+/t16-,19-,20-,21+,22+,23-,24-,25-,26-,28+/m1/s1
SMILES C1(=CC[C@@H](O[C@@H]1CC)/C(=C/[C@H](C)/C=C/[C@@H]1[C@H]([C@@H]1C)/C=C/[C@H]1O[C@H](C[C@H]([C@@H]1O)O)CC(=O)O)/C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
BacteriaPolyangiaceaePolyangium cellulosum var. fulvum Ref.
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OrganismPolyangium cellulosum var. fulvum
ReferenceRingel,J. Antibiotics,30,(1977),371