input word = C00016639

Metabolite InformationStructural formula
Name Mniopetal A
Formula C27H40O9
Mw 508.26723288
CAS RN 158760-98-6
C_ID C00016639 ,
InChIKey AXAFCVAELSOPHP-HIVFZYMINA-N
InChICode InChI=1S/C27H40O9/c1-5-6-7-8-9-10-11-18(34-16(2)29)23(31)35-19-14-26(3,4)20-13-12-17(15-28)21-24(32)36-25(33)27(20,21)22(19)30/h12,15,18-22,24,30,32H,5-11,13-14H2,1-4H3/t18-,19+,20+,21-,22+,24+,27-/m1/s1
SMILES CCCCCCCC[C@@H](OC(C)=O)C(=O)O[C@H]1CC(C)(C)[C@@H]2CC=C(C=O)[C@@H]3[C@@H](O)OC(=O)[C@@]32[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiTricholomataceaeMniopetalum sp. 87256 Ref.
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OrganismMniopetalum sp. 87256
ReferenceKuschel,J.Antibiotics 47,(1994),733