input word = C00030913

Metabolite InformationStructural formula
Name Pachyclavulide H
(+)-Pachyclavulide H
Formula C28H38O11
Mw 550.24141206
CAS RN 1008094-70-9
C_ID C00030913 ,
InChIKey NGKKXRNDEPDKRK-NSJDOUNTNA-N
InChICode InChI=1S/C28H38O11/c1-14-8-10-21(36-17(4)30)27(7)22(37-18(5)31)11-9-20(13-35-16(3)29)12-23-28(34,15(2)26(33)39-23)25(24(14)27)38-19(6)32/h8,12,15,21-25,34H,9-11,13H2,1-7H3/b20-12+/t15-,21+,22-,23-,24+,25-,27+,28-/m0/s1
SMILES C\1=C(\CC[C@@H]([C@@]2([C@@H]([C@@H]([C@]3([C@H]1OC(=O)[C@@H]3C)O)OC(=O)C)C(=CC[C@H]2OC(=O)C)C)C)OC(=O)C)/COC(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Pachyclavularia violacea Ref.
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