input word = C00042333

Metabolite InformationStructural formula
Name Calbistrin E
Formula C31H38O7
Mw 522.26175357
CAS RN 851278-58-5
C_ID C00042333 ,
InChIKey XZKXUILQCBAMTL-OZRSUMCMNA-N
InChICode InChI=1S/C31H38O7/c1-19(10-8-12-26(33)34)9-7-11-21(3)28(35)22(4)29(36)38-24-18-20(2)17-23-13-15-30(5)31(6,27(23)24)25(32)14-16-37-30/h7-17,20,22,24,27-28,35H,18H2,1-6H3,(H,33,34)/b9-7+,12-8+,19-10+,21-11+/t20-,22+,24+,27-,28+,30-,31-/m1/s1
SMILES [C@H]12C(=C[C@H](C[C@@H]2OC(=O)[C@@H](C)[C@@H](O)/C(=C/C=C/C(=C/C=C/C(=O)O)/C)/C)C)C=C[C@@]2([C@@]1(C(=O)C=CO2)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiTrichocomaceaePenicillium striatisporum Ref.
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