input word = C00016846

Metabolite InformationStructural formula
Name Bu 4794F
Formula C45H58O16
Mw 854.37248581
CAS RN 151013-36-4
C_ID C00016846 ,
InChIKey JSBUKGAJQOVJAQ-BEUKNGPANA-N
InChICode InChI=1S/C45H58O16/c1-3-5-7-9-11-13-16-20-30(47)21-17-15-19-23-36(51)59-42-41(33(26-46)61-45(43(42)55)37-29(27-57-45)24-31(48)25-32(37)49)60-44-40(54)39(53)38(52)34(58-44)28-56-35(50)22-18-14-12-10-8-6-4-2/h7-20,22-25,30,33-34,38-44,46-49,52-55H,3-6,21,26-28H2,1-2H3/b9-7+,10-8?,13-11-,14-12-,17-15-,20-16+,22-18+,23-19?/t30-,33?,34+,38+,39+,40+,41?,42?,43+,44-,45?/m1/s1
SMILES CCCC=CC=CC=CC(=O)OCC1OC(OC2C(CO)OC3(OCc4cc(O)cc(O)c43)C(O)C2OC(=O)C=CC=CC[C@H](O)C=CC=CC=CCCC)C(O)C(O)C1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Gilmaniella sp. FA4459 Ref.
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OrganismGilmaniella sp. FA4459
ReferenceAoki,J. Antibiotics,46,(1993),952