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Janthitrem B

PropertiesImageOccurences in reactions
MNX_IDMNXM1100352Image of MNXM1100352
#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
formulaC37H47NO5
charge0
mass585.34542
referencekeggC:C20600
InChIKeyFYYNBFCZCKFSKS-QSDHUPEDSA-N
InChIInChI=1S/C37H47NO5/c1-18(2)31-27(39)16-25-28(42-31)10-11-35(7)36(8)19(9-12-37(25,35)41)13-23-21-14-22-20(15-26(21)38-32(23)36)24-17-33(3,4)43-34(5,6)29(24)30(22)40/h14-17,19,27-31,38-41H,1,9-13H2,2-8H3/t19-,27+,28-,29+,30+,31+,35+,36+,37+/m0/s1
SMILESC=C(C)[C@H]1O[C@H]2CC[C@@]3(C)[C@@](O)(CC[C@H]4Cc5c([nH]c6cc7c(cc56)[C@@H](O)[C@H]5C7=CC(C)(C)OC5(C)C)[C@@]43C)C2=C[C@H]1O
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Similar chemical compounds in external resources
IdentifierDescription
seed.compound:cpd31219
seedM:cpd31219
kegg.compound:C20600
keggC:C20600
Janthitrem B
hmdb:HMDB0030528 Janthitrem B
2,3,23,23,25,25-hexamethyl-8-(prop-1-en-2-yl)-7,24-dioxa-31-azaoctacyclo[15.14.0.0²,¹⁵.0³,¹².0⁶,¹¹.0¹⁸,³⁰.0²⁰,²⁸.0²²,²⁷]hentriaconta-1(17),10,18(30),19,26,28-hexaene-9,12,21-triol
hmdb:HMDB30528
keggC:M_C20600
seedM:M_cpd31219
secondary/obsolete/fantasy identifier