input word = C00012677

Metabolite InformationStructural formula
Name Vertisporin
Formula C29H36O10
Mw 544.23084737
CAS RN 57100-32-0
C_ID C00012677 ,
InChIKey LERCQWPSQAJZLO-BPCZHSGMNA-N
InChICode InChI=1S/C29H36O10/c1-16-6-9-27-14-34-22(31)12-17-7-10-35-28(23(32)25(33)39-24(17)28)8-4-3-5-21(30)38-18-13-20(37-19(27)11-16)29(15-36-29)26(18,27)2/h3,5,11-12,16,18,20,23-25,32-33H,4,6-10,13-15H2,1-2H3/b5-3+,17-12-/t16-,18+,20+,23-,24-,25+,26+,27-,28-,29-/m1/s1
SMILES [C@@]123C(=C[C@@H](CC1)C)O[C@@H]1[C@]4([C@]2([C@H](C1)OC(=O)/C=C/CC[C@]12OCC/C(=C/C(=O)OC3)/[C@H]1O[C@@H]([C@H]2O)O)C)OC4
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Verticimonosporium diffractum Ref.
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