input word = C00057525

Metabolite InformationStructural formula
Name Periandrin I
Formula C42H62O16
Mw 822.40378593
CAS RN 73565-59-0
C_ID C00057525
InChIKey XNLFIERPGXTDDP-URTGHCAOSA-N
InChICode InChI=1S/C42H62O16/c1-37(2)21-9-11-41(6)22(8-7-19-20-17-39(4,36(53)54)14-13-38(20,3)15-16-40(19,41)5)42(21,18-43)12-10-23(37)55-35-31(27(47)26(46)30(57-35)33(51)52)58-34-28(48)24(44)25(45)29(56-34)32(49)50/h17-19,21-31,34-35,44-48H,7-16H2,1-6H3,(H,49,50)(H,51,52)(H,53,54)/t19-,21+,22+,23+,24+,25+,26+,27+,28-,29+,30+,31-,34+,35-,38-,39+,40-,41-,42-/m1/s1
SMILES CC1(C)[C@@H](O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)CC[C@]2(C=O)[C@H]3CC[C@@H]4C5=C[C@@](C)(C(=O)O)CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Periandra dulcis Ref.
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