CHEBI:8211 - Pimelea factor P2

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ChEBI Name Pimelea factor P2
ChEBI ID CHEBI:8211
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C37H50O9
Net Charge 0
Average Mass 638.789
Monoisotopic Mass 638.34548
InChI InChI=1S/C37H50O9/c1-20(2)33-18-22(4)37-26-29(33)44-35(45-33,46-37)17-13-8-6-7-10-14-21(3)25-23(5)28(42-31(39)24-15-11-9-12-16-24)36(41,27(25)37)32(40)34(19-38)30(26)43-34/h9,11-12,15-16,21-23,25-30,32,38,40-41H,1,6-8,10,13-14,17-19H2,2-5H3/t21-,22-,23+,25+,26-,27-,28+,29-,30+,32-,33-,34+,35?,36-,37-/m1/s1
InChIKey IAPHKDDUYAWCMB-FSMYGLCCSA-N
SMILES C[C@@H]1[C@H](OC(=O)c2ccccc2)[C@]2(O)[C@H]3[C@H]1[C@H](C)CCCCCCCC14O[C@@H]5[C@H]([C@@H]6O[C@]6(CO)[C@H]2O)[C@]3(O1)[C@H](C)C[C@@]5(O4)C(C)=C
ChEBI Ontology
Outgoing Pimelea factor P2 (CHEBI:8211) is a diterpenoid (CHEBI:23849)
Synonyms Sources
Daphnopsis factor R1 KEGG COMPOUND
Pimelea factor P2 KEGG COMPOUND
Manual Xrefs Databases
C00003469 KNApSAcK
C09161 KEGG COMPOUND
View more database links
Registry Number Type Source
66107-37-7 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014