input word = C00048635

Metabolite InformationStructural formula
Name Briaexcavatin Q
Formula C26H37ClO11
Mw 560.20243974
CAS RN 1124328-08-0
C_ID C00048635 ,
InChIKey BHSSUVKITPVOAV-PKJMDGEMNA-N
InChICode InChI=1S/C26H37ClO11/c1-12-23(32)38-20-9-16(11-27)7-8-18(35-13(2)28)24(5)19(36-14(3)29)10-17(31)25(6,33)21(24)22(26(12,20)34)37-15(4)30/h9,12,17-22,31,33-34H,7-8,10-11H2,1-6H3/b16-9+/t12-,17+,18-,19-,20-,21+,22-,24-,25+,26+/m0/s1
SMILES CC(=O)O[C@H]1CC/C(CCl)=C[C@@H]2OC(=O)[C@H](C)C2(O)[C@@H](OC(C)=O)[C@H]2[C@](C)(O)[C@H](O)C[C@H](OC(C)=O)[C@]12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Briareum excavatum Ref.
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