input word = C00049393

Metabolite InformationStructural formula
Name Palythoalone A
(-)-Palythoalone A
Formula C28H46O8
Mw 510.31926845
CAS RN 220757-95-9
C_ID C00049393 ,
InChIKey SCHNJHTVEMNUAG-JGEDVHHZNA-N
InChICode InChI=1S/C28H46O8/c1-15(16(2)14-29)10-22(32)26(5,34)21-7-9-27(35)18-11-23(33)28(36)13-20(31)19(30)12-25(28,4)17(18)6-8-24(21,27)3/h11,15-17,19-22,29-32,34-36H,6-10,12-14H2,1-5H3/t15-,16-,17-,19-,20+,21-,22+,24+,25+,26+,27+,28+/m0/s1
SMILES C1[C@H]2C(=CC(=O)[C@]3([C@@]2(C[C@@H]([C@@H](C3)O)O)C)O)[C@]2([C@](C1)([C@H](CC2)[C@]([C@@H](C[C@H](C)[C@@H](C)CO)O)(O)C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
AnimaliaZoanthidaePalythoa australiae Ref.
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