input word = C00016288

Metabolite InformationStructural formula
Name CP 225917
Phomoidride A
Formula C31H38O10
Mw 570.24649744
CAS RN 166527-60-2
C_ID C00016288 ,
InChIKey PXJMQYXPSSIUGS-XPRNYUADNA-N
InChICode InChI=1S/C31H38O10/c1-3-5-7-8-9-11-12-18-14-23-30(17-24(34)35)16-20-25(28(37)40-27(20)36)26(31(23,39)41-29(30)38)19(18)15-22(33)21(32)13-10-6-4-2/h3-6,14,18-19,22,26,33,39H,7-13,15-17H2,1-2H3,(H,34,35)/b5-3+,6-4+/t18-,19+,22-,26+,30-,31+/m0/s1
SMILES [C@@H]12[C@@H]([C@H](C=C3[C@@](CC4=C1C(=O)OC4=O)(C(=O)O[C@@]23O)CC(=O)O)CCCCC/C=C/C)C[C@H](O)C(=O)CC/C=C/C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiIncertae sedisPhoma sp. Ref.
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